Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: Benzene,1,2-dichloro-4-isothiocyanato-
Price: ￥548.0/5g ￥1238.0/25g
Purity: 98.0%
Stocking Period: Inquiry
Contact: Liu jia

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Benzene,1,2-dichloro-4-isothiocyanato-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

6590-94-9

6590-94-9 structure

Name: Benzene,1,2-dichloro-4-isothiocyanato-
Chemical Name: 3,4-dichlorophenyl isothiocyanate
CAS Number: 6590-94-9
Molecular Formula: C₇H₃Cl₂NS
Molecular Weight: 204.07600
Catalog: Chemical reagent Organic reagent Thiocyanate/isothiocyanate
Create Date: 2018-07-10 16:59:43
Modify Date: 2024-01-12 03:33:09

Name	3,4-dichlorophenyl isothiocyanate
Synonyms	EINECS 229-526-0 1,2-dichloro-4-isothiocyanatobenzene MFCD00037828

Density	1.422 g/mL at 25 °C(lit.)
Boiling Point	134-136 °C7 mm Hg(lit.)
Molecular Formula	C₇H₃Cl₂NS
Molecular Weight	204.07600
Flash Point	>230 °F
Exact Mass	202.93600
PSA	44.45000
LogP	3.72770
Index of Refraction	n20/D 1.68(lit.)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NX8490000

CHEMICAL NAME :: Isothiocyanic acid, 3,4-dichlorophenyl ester

CAS REGISTRY NUMBER :: 6590-94-9

BEILSTEIN REFERENCE NO. :: 0511101

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H3-Cl2-N-S

MOLECULAR WEIGHT :: 204.07

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: 19,558,1969

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

Symbol	GHS05
Signal Word	Danger
Hazard Statements	H314
Precautionary Statements	P280-P305 + P351 + P338-P310
Personal Protective Equipment	Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	C: Corrosive;
Risk Phrases	R20/21/22;R34
Safety Phrases	S23-S26-S27-S36/37/39-S45
RIDADR	UN 3265 8/PG 3
WGK Germany	3
RTECS	NX8490000
Packaging Group	III
Hazard Class	8
HS Code	2930909090

463-71-8

95-76-1

~18%

6590-94-9

Literature: Zakrzewski, Jerzy; Krawczyk, Maria Phosphorus, Sulfur and Silicon and the Related Elements, 2009 , vol. 184, # 7 p. 1880 - 1903

463-71-8

33240-95-8

~76%

6590-94-9

Literature: De Costa; Rice; Bowen; Thurkauf; Rothman; Band; Jacobson; Radesca; Contreras; Gray; Daly; Iyengar; Finn; Vazirani; Walker Journal of Medicinal Chemistry, 1990 , vol. 33, # 11 p. 3100 - 3110

75-15-0

95-76-1

~50%

6590-94-9

Literature: Zhang, Ze; Wu, Hao-Hao; Tan, Ya-Jun RSC Advances, 2013 , vol. 3, # 38 p. 16940 - 16944

95-76-1

6590-94-9

Literature: Journal of the American Chemical Society, , vol. 79, p. 1236,1242 Journal of Organic Chemistry, , vol. 24, p. 1676

5909-73-9

6590-94-9

Literature: Angewandte Chemie, , vol. 78, p. 748 - 749

102-36-3

6590-94-9

Literature: Angewandte Chemie, , vol. 78, p. 748 - 749

32315-10-9

95-76-1

6590-94-9

Literature: Chemical Biology and Drug Design, , vol. 76, # 1 p. 25 - 33

Precursor 7
463-71-8 95-76-1 33240-95-8 75-15-0
32315-10-9 5909-73-9 102-36-3
DownStream 7
10248-88-1 30954-78-0 17073-17-5 19250-09-0
38901-32-5 56242-69-4 63684-99-1

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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