Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Palmitic acid
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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%
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3694-45-9

3694-45-9 structure

3694-45-9 structure

Name: Benzene,1-chloro-4-(isothiocyanatomethyl)
Chemical Name: 4-chlorobenzyl isothiocyanate
CAS Number: 3694-45-9
Molecular Formula: C₈H₆ClNS
Molecular Weight: 183.65800
Create Date: 2018-03-14 08:00:00
Modify Date: 2026-07-01 13:06:34

Name	4-chlorobenzyl isothiocyanate
Synonyms	Benzene, 1-chloro-4-(isothiocyanatomethyl) 4-Chlorobenzyl isothiocyanate 1-CHLORO-4-(ISOTHIOCYANATOMETHYL)BENZENE 4-Chlorobenzylisothiocyanate Isothiocyanic acid, p-chlorobenzyl ester isothiocyanicacid,p-chlorobenzylester p-chlorobenzylisothiocyanate 4-Chlorobenzyl isothiocyate 1-chloro-4-(isothiocyanatomethyl)-benzen 4-CHLOROBENZYL ISOTHIOCYANATE 1-chloro-4-(isothiocyanatomethyl)benzene MFCD00041116

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
463-71-8 104-86-9 75-15-0 65560-92-1
57206-73-2 2082-64-6
DownStream 3
104-86-9 24827-37-0 61290-76-4

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%

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