4-bromophenyl isothiocyanate

Modify Date: 2024-01-03 11:25:17

4-bromophenyl isothiocyanate Structure
4-bromophenyl isothiocyanate structure
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 Chinese USA Flash Point 123.2±22.6 °C
Symbol GHS07 GHS08
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
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

 Synthetic Route

 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

More Articles
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