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1-chloro-4-isothiocyanatobenzene

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Origin: China

Cas No: 2131-55-7

Specification: 99%min

Min order Quantity: 1 /kg

Supply Ability: 100 mt/month

Lead time: 7 days for OEM, 3 days for ready goods

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CAS No.: 2131-55-7 Formula: C7H4ClNS Molecular Weight: 169.63100

Basic Info

Chemical Name	1-chloro-4-isothiocyanatobenzene
Synonyms	Benzene,1-chloro-4-isothiocyanato; 4-Chlor-phenyl-isothiocyanat; p-Chlorophenyl isothiocyanate; Isothiocyanic acid,p-chlorophenyl ester; Benzene, 1-chloro-4-isothiocyanato-; 1-chloro-4-isothiocyanato-benzene; 4-Chlorophenyl isothiocyanate; Isothiocyanic Acid 4-Chlorophenyl Ester; p-Cl-Ph-NCS;
CAS No.	2131-55-7
Molecular Formula	C7H4ClNS
Molecular Weight	169.63100
PSA	44.45000
LogP	3.07430

Properties

Appearance & Physical State	light yellow crystalline mass
Density	1.21g/cm3
Boiling Point	135-136ºC(24 torr)
Melting Point	43-136ºC
Flash Point	105.1ºC
Refractive Index	1.593
Storage Condition	Refrigerator (+4ºC)
Vapor Pressure	0.0347mmHg at 25°C

Safety Info

RTECS	NX8473000
Hazard Class	8
Safety Statements	S26-S36/37/39-S45
HS Code	2930909090
WGK Germany	3
Packing Group	III
RIDADR	UN 2206 6.1/PG 2
Risk Statements	R23/24/25; R36/37/38
Hazard Codes	Xn
Signal Word	Danger
Caution Statement	P261; P280; P301 + P310; P305 + P351 + P338; P311
Symbol	GHS06, GHS08
Hazard Declaration	H301 + H311 + H331; H315; H317; H319; H334; H335

Synthesis Route

1-(4-chloranilino-thiocarbonyl)-benzimidazolidine-2-thione→2-Mercaptobenzimidazole+1-chloro-4-isothiocyanatobenzene
sodium (4-chlorophenyl)carbamodithioate+N-phenylbenzenecarboximidoyl chloride→1-chloro-4-isothiocyanatobenzene+N-phenylbenzenecarbothioamide
thiophosgene+4-chloroaniline→1-chloro-4-isothiocyanatobenzene

Toxicity

Exposure Route	Type of Test	Species Observed	Dose/Duration	Toxic Effects
Intraperitoneal	LDLo - Lowest published lethal dose	Rodent - rat	100 mg/kg	1.Details of toxic effects not reported other than lethal dose value
Intraperitoneal	LDLo - Lowest published lethal dose	Rodent - mouse	100 mg/kg	1.Details of toxic effects not reported other than lethal dose value

Precursor

Lauroyl azide
4-chloroaniline
thiophosgene
((4-chlorophenyl)amino)phenoxymethane-1-thione

Downstream Product

3-[(2-chloroindolo[2,3-b]quinoxalin-6-yl)methyl]-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
5-amino-6-(4-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-one
3-[(9-bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
5-amino-6-(4-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidine-4-thione

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