Trichloroacetonitrile

Modify Date: 2024-01-02 16:02:09

Trichloroacetonitrile structure	Common Name	Trichloroacetonitrile
	CAS Number	545-06-2	Molecular Weight	144.387
	Density	1.6±0.1 g/cm3	Boiling Point	85.7±0.0 °C at 760 mmHg
	Molecular Formula	C₂Cl₃N	Melting Point	-42 °C
	MSDS	Chinese USA	Flash Point	10.5±20.2 °C
	Symbol	GHS06, GHS09	Signal Word	Danger

Use of Trichloroacetonitrile

Trichloroacetonitrile is among a number of contaminants found in drinking water produced by reactions of chlorine with background organic material. Trichloroacetonitrile is an efficient activating agent for the ipso-hydroxylation of arylboronic acids to phenolic compounds[1][2].

Name	Trichloroacetonitrile
Synonym	More Synonyms

Description	Trichloroacetonitrile is among a number of contaminants found in drinking water produced by reactions of chlorine with background organic material. Trichloroacetonitrile is an efficient activating agent for the ipso-hydroxylation of arylboronic acids to phenolic compounds[1][2].
Related Catalog	Research Areas >> Others Signaling Pathways >> Others >> Others
References	[1]. Fang Y, et al. Trichloroacetonitrile as an efficient activating agent for the ipso-hydroxylation of arylboronic acids to phenolic compounds. Org Biomol Chem. 2019;17(32):7558-7563. [2]. Smith MK, et al. Teratogenic effects of trichloroacetonitrile in the Long-Evans rat. Teratology. 1988;38(2):113-120.

Description

Related Catalog

Research Areas >> Others

Signaling Pathways >> Others >> Others

References

[1]. Fang Y, et al. Trichloroacetonitrile as an efficient activating agent for the ipso-hydroxylation of arylboronic acids to phenolic compounds. Org Biomol Chem. 2019;17(32):7558-7563.

[2]. Smith MK, et al. Teratogenic effects of trichloroacetonitrile in the Long-Evans rat. Teratology. 1988;38(2):113-120.

Density	1.6±0.1 g/cm3
Boiling Point	85.7±0.0 °C at 760 mmHg
Melting Point	-42 °C
Molecular Formula	C₂Cl₃N
Molecular Weight	144.387
Flash Point	10.5±20.2 °C
Exact Mass	142.909637
PSA	23.79000
LogP	2.54
Vapour Pressure	68.6±0.1 mmHg at 25°C
Index of Refraction	1.489
Stability	Stable, but water sensitive. Incompatible with acids, water, steam. May hydrolyze in alkali or acid conditions. Flammable.
Water Solubility	<0.1 g/100 mL at 21.5°C \| <0.1 g/100 mL at 21.5 ºC

Trichloroacetonitrile MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AM2450000

CHEMICAL NAME :: Acetonitrile, trichloro-

CAS REGISTRY NUMBER :: 545-06-2

BEILSTEIN REFERENCE NO. :: 0605572

LAST UPDATED :: 199710

DATA ITEMS CITED :: 23

MOLECULAR FORMULA :: C2-Cl3-N

MOLECULAR WEIGHT :: 144.38

WISWESSER LINE NOTATION :: NCXGGG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 250 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 250 ppm/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 311 ppm/5H

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - lacrimation Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 900 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 311 ppm/5H

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - lacrimation Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 97500 ug/kg

SEX/DURATION :: female 6-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system Reproductive - Specific Developmental Abnormalities - urogenital system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 97500 ug/kg

SEX/DURATION :: female 6-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetal death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 455 mg/kg

SEX/DURATION :: female 6-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 825 mg/kg

SEX/DURATION :: female 7-21 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

TYPE OF TEST :: Micronucleus test

MUTATION DATA

TYPE OF TEST :: Sister chromatid exchange

TEST SYSTEM :: Rodent - hamster Ovary

DOSE/DURATION :: 15 umol/L

REFERENCE :: FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 5,1065,1985 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 52,269,1991 IARC Cancer Review:Human No Available Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 52,269,1991 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 52,269,1991

Symbol	GHS06, GHS09
Signal Word	Danger
Hazard Statements	H301 + H311 + H331-H315-H319-H411
Precautionary Statements	Missing Phrase - N15.00950417-P261-P280-P302 + P352 + P312-P304 + P340 + P312-P403 + P233
Personal Protective Equipment	Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	T:Toxic
Risk Phrases	R23/24/25;R51/53
Safety Phrases	S45-S61
RIDADR	UN 3276 6.1/PG 3
WGK Germany	3
RTECS	AM2450000
Packaging Group	II
Hazard Class	8
HS Code	29269095

Precursor 9
CAS#:75-05-8 Acetonitrile CAS#:76716-10-4 N-(2-(2-(2,2,2-... CAS#:594-65-0 2,2,2-Trichloro... CAS#:107-14-2 2-chloroacetonitrile
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CAS#:3018-12-0 Dichloroacetonitrile
DownStream 10
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CAS#:4336-70-3 (Cyanomethyl)(t... CAS#:1002-56-8 2-chlorodecane CAS#:20063-97-2 2-Decene, (E)- CAS#:51479-73-3 Ethanimidic aci...
CAS#:39900-63-5 2-Hydroxy-5-met... CAS#:75-77-4 Chlorotrimethyl...

HS Code	2926909090
Summary	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Identification of two urinary metabolites of rats treated with acrylonitrile; influence of several inhibitors on the mutagenicity of those urines.

Toxicol. Lett. 7(4-5) , 321-7, (1981)

Urines collected from rats injected with acrylonitrile (ACN) were mutagenic towards Salmonella typhimurium TA1530; this activity was reduced when the animals were pretreated by pyrazole (inhibitor of ...

Trichloroacetonitrile.

IARC Monogr. Eval. Carcinog. Risks Hum. 71 Pt 3 , 1533-7, (1999)

Teratogenic effects of trichloroacetonitrile in the Long-Evans rat.

Teratology 38(2) , 113-20, (1988)

Trichloroacetonitrile (TCAN) is among a number of contaminants found in drinking water produced by reactions of chlorine with background organic material. Long-Evans rats were intubated with TCAN (0, ...

EINECS 208-885-7

Acetonitrile, 2,2,2-trichloro-

UNII:6397DL8869

Trichloroacetonitrile

2,2,2-trichloroacetonitrile

MFCD00001842

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: Trichloroacetonitrile
Price: ￥458.0/500g ￥138.0/100g
Purity: 98.0%
Stocking Period: Inquiry
Contact: Liu jia

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Trichloroacetonitrile
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

Henan Tianfu Chemical Co., Ltd.
China
Product Name: Trichloroacetonitrile
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Stocking Period: Inquiry
Contact: Anson

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Trichloroacetonitrile

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