CAS 1985-12-2|4-bromophenyl isothiocyanate

Introduction：Basic information about CAS 1985-12-2|4-bromophenyl isothiocyanate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles3
7. Synonyms

Common Name	4-bromophenyl isothiocyanate
CAS Number	1985-12-2	Molecular Weight	214.082
Density	1.5±0.1 g/cm3	Boiling Point	280.1±23.0 °C at 760 mmHg
Molecular Formula	C₇H₄BrNS	Melting Point	56-58 °C(lit.)
MSDS	ChineseUSA	Flash Point	123.2±22.6 °C
Symbol	GHS07, GHS08	Signal Word	Danger

Names

Name	1-bromo-4-isothiocyanatobenzene
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.5±0.1 g/cm3
Boiling Point	280.1±23.0 °C at 760 mmHg
Melting Point	56-58 °C(lit.)
Molecular Formula	C₇H₄BrNS
Molecular Weight	214.082
Flash Point	123.2±22.6 °C
Exact Mass	212.924774
PSA	44.45000
LogP	4.03
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.622

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NX8400000

CHEMICAL NAME :: Isothiocyanic acid, p-bromophenyl ester

CAS REGISTRY NUMBER :: 1985-12-2

BEILSTEIN REFERENCE NO. :: 0878549

LAST UPDATED :: 199612

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C7-H4-Br-N-S

MOLECULAR WEIGHT :: 214.09

WISWESSER LINE NOTATION :: SCNR DE

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 400 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - muscle weakness Gastrointestinal - ulceration or bleeding from stomach

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 5,741,1967

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

Safety Information

Symbol	GHS07, GHS08
Signal Word	Danger
Hazard Statements	H302 + H312 + H332-H315-H319-H334-H335
Precautionary Statements	P261-P280-P305 + P351 + P338-P342 + P311
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes	Xn,Xi,C
Risk Phrases	R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin . R42:May cause sensitization by inhalation.
Safety Phrases	S22-S26-S36/37-S45
RIDADR	2811
WGK Germany	3
RTECS	NX8400000
Packaging Group	III
Hazard Class	6.1
HS Code	2930909090

Customs

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%

Articles3

Effect of thiol blocking agents on the binding of T3 and T4 in rat liver nuclear extract.

Acta Endocrinol. 98(1) , 68-72, (1981)

Liver nuclei bind thyroid hormones (T3 and T4) with different binding affinities. In out studies it was estimated that the apparent association constant (Ka) in the liver nuclei for T3 was 8.8 X 10(10...

Selective and reversible inhibition of heart sarcolemmal (Na+ + K+)-ATPase by p-bromophenyl isothiocyanate. Evidence for a sulfhydryl group in the ATP-binding site of the enzyme.

Gen. Physiol. Biophys. 2(6) , 447-56, (1983)

Isothiocyanates are potent modifiers of thiol groups, and they have been successfully applied in studying the active site structure of renal (Na+ + K+)-ATPase. However, very little has been known on i...

1-Aryl(glycofurano)imidazolidine-2-thiones derived from new 2-(alkylamino)-2-deoxyheptoses having d-glycero- d-galacto and d-glycero-d-talo configurations. Galbis Perez JA, et al.

Carbohydr. Res. 131(1) , 71-82, (1984)

Synonyms

MFCD00004808

4-bromophenyl isothiocyanate

1-bromo-4-isothiocyanato-benzene

para-bromophenyl isothiocyanate

1-bromo-4-thiocyanato-benzene

1-Bromo-4-isothiocyanatobenzene

Benzene,1-bromo-4-isothiocyanato

Benzene, 1-bromo-4-isothiocyanato-

p-Bromophenyl isothiocyanate

ISOTHIOCYANIC ACID,p-BROMOPHENYL ESTER

Trichofytocid

Isothiocyanic Acid 4-Bromophenyl Ester

Bromobenzene-4-isothiocyanate

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