UNII:SHY3J1BBQ6

Modify Date: 2024-01-08 17:13:16

UNII:SHY3J1BBQ6 Structure
UNII:SHY3J1BBQ6 structure
Common Name UNII:SHY3J1BBQ6
CAS Number 83463-62-1 Molecular Weight 154.393
Density 1.9±0.1 g/cm3 Boiling Point 121.1±20.0 °C at 760 mmHg
Molecular Formula C2HBrClN Melting Point N/A
MSDS N/A Flash Point 27.1±21.8 °C

 Use of UNII:SHY3J1BBQ6


Bromochloroacetonitrile is a by-product of the chlorine disinfection of water containing natural organic material. Bromochloroacetonitrile possesses direct acting mutagenic activity and is capable of inducing DNA strand breakage[1].

 Names

Name Bromochloroacetonitrile
Synonym More Synonyms

 UNII:SHY3J1BBQ6 Biological Activity

Description Bromochloroacetonitrile is a by-product of the chlorine disinfection of water containing natural organic material. Bromochloroacetonitrile possesses direct acting mutagenic activity and is capable of inducing DNA strand breakage[1].
Related Catalog
In Vitro Bromochloroacetonitrile (BCAN) induces sister chromatid exchange in Chinese hamster ovary cells[1].
References

[1]. Suzanne A. et al.The developmental toxicity of bromochloroacetonitrile in pregnant long‐evans rats, International Journal of Environmental Health Research, 5:2, 175-188.

 Chemical & Physical Properties

Density 1.9±0.1 g/cm3
Boiling Point 121.1±20.0 °C at 760 mmHg
Molecular Formula C2HBrClN
Molecular Weight 154.393
Flash Point 27.1±21.8 °C
Exact Mass 152.898087
PSA 23.79000
LogP 1.23
Vapour Pressure 14.8±0.2 mmHg at 25°C
Index of Refraction 1.507

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AL8010000
CHEMICAL NAME :
Acetonitrile, bromochloro-
CAS REGISTRY NUMBER :
83463-62-1
LAST UPDATED :
199607
DATA ITEMS CITED :
14
MOLECULAR FORMULA :
C2-H-Br-Cl-N
MOLECULAR WEIGHT :
154.40
WISWESSER LINE NOTATION :
NCYGE

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2400 mg/kg/2W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors
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 - growth statistics (e.g.%, reduced weight gain)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
845 mg/kg
SEX/DURATION :
female 6-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
585 mg/kg
SEX/DURATION :
female 6-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
65 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) Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system
TYPE OF TEST :
Micronucleus test

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
4200 nmol/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

 Safety Information

Hazard Codes Xn
Risk Phrases R23/24/25;R34
Safety Phrases S26-S36/37/39-S45
RIDADR UN 1760
RTECS AL8010000
Packaging Group III
Hazard Class 8
HS Code 2926909090

 Customs

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%

 Synonyms

Acetonitrile, 2-bromo-2-chloro-
BROMOCHLOROACETONITRILE
Bromo(chloro)acetonitrile
UNII:SHY3J1BBQ6
2-bromo-2-chloroacetonitrile
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