Benzene,1-chloro-4-(isothiocyanatomethyl)-

Modify Date: 2025-08-25 10:37:16

Benzene,1-chloro-4-(isothiocyanatomethyl)- structure	Common Name	Benzene,1-chloro-4-(isothiocyanatomethyl)-
	CAS Number	3694-45-9	Molecular Weight	183.65800
	Density	1,27 g/cm3	Boiling Point	170 °C
	Molecular Formula	C₈H₆ClNS	Melting Point	N/A
	MSDS	N/A	Flash Point	169-170°C/25mm

Name	4-chlorobenzyl isothiocyanate
Synonym	More Synonyms

Density	1,27 g/cm3
Boiling Point	170 °C
Molecular Formula	C₈H₆ClNS
Molecular Weight	183.65800
Flash Point	169-170°C/25mm
Exact Mass	182.99100
PSA	44.45000
LogP	2.94280
Index of Refraction	1.6155

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NX8470000

CHEMICAL NAME :: Isothiocyanic acid, p-chlorobenzyl ester

CAS REGISTRY NUMBER :: 3694-45-9

BEILSTEIN REFERENCE NO. :: 2085917

LAST UPDATED :: 199712

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C8-H6-Cl-N-S

MOLECULAR WEIGHT :: 183.66

WISWESSER LINE NOTATION :: SCN1R DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 100 mg/kg

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

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 16,870,1966

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

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

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,121,1971

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

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02757

Hazard Codes	T: Toxic;
Risk Phrases	R20/21/22;R36/37/38
Safety Phrases	S26-S36/37/39
RIDADR	2810
RTECS	NX8470000
Packaging Group	II
Hazard Class	6.1
HS Code	2930909090

Precursor 6
CAS#:463-71-8 Thiophosgene CAS#:104-86-9 4-Chlorobenzylamine CAS#:75-15-0 Carbon disulphide CAS#:65560-92-1 4-amino-7-((2R,...
CAS#:57206-73-2 1,3-bis-(4-chlo... CAS#:2082-64-6 Thiocyanic acid...
DownStream 3
CAS#:104-86-9 4-Chlorobenzylamine CAS#:24827-37-0 1-(4-CHLOROBENZ... CAS#:61290-76-4 3-[(4-chlorophe...

HS Code	2930909090
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

4-Chlorobenzyl isothiocyanate

1-chloro-4-(isothiocyanatomethyl)benzene

MFCD00041116

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Benzene,1-chloro-4-(isothiocyanatomethyl)-
Price: Check
Purity: 97.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Benzene,1-chloro-4-(isothiocyanatomethyl)-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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