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4-Bromophenyl isothiocyanate

4-Bromophenyl isothiocyanate structure

CAS No:
1985-12-2
Formula:
C7H4BrNS
Chemical Name:
4-Bromophenyl isothiocyanate
Synonyms:
Benzene,1-bromo-4-isothiocyanato-;Isothiocyanic acid,p-bromophenyl ester;1-Bromo-4-isothiocyanatobenzene;p-Bromophenyl isothiocyanate;4-Bromophenyl isothiocyanate;Bromobenzene-4-isothiocyanate;Trichofytocid;Trichophytocid;NSC 72012;1-Isothiocyanato-4-bromobenzene
Categories:
Chemical Reagents > Organic Reagents

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4-Bromophenyl isothiocyanate Basic Attributes

Molecular Weight：

214.08

Exact Mass：

214.08

BRN：

878549

EC Number：

-0

UNII：

RIT5DF1B5G

NSC Number：

72012

DSSTox ID：

DTXSID30173594

HScode：

2930909090

Characteristics

PSA：

44.4

XLogP3：

4.03

Appearance：

white to light yellow crystalline powder

Density：

1.5±0.1 g/cm3

Melting Point：

60-61 °C

Boiling Point：

140 °C @ Press: 13 Torr

Flash Point：

>110°C

Refractive Index：

1.622

Storage Conditions：

Refrigerator (+4°C)

Vapor Pressure：

0.00656mmHg at 25°C

Toxicity：

Oral-rat LD50: 400 mg/kg; Abdominal cavity-mouse LDL0: 100 mg/kg

Flammability characteristics：

Thermal decomposition releases toxic bromide, nitrogen oxides and sulfur oxide fumes

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2811

wgk germany：

hazard class code：

20/21/22-36/37/38-42

safety instructions：

22-26-36/37-45

RTECS Number：

NX8400000

Marks：

Xn,Xi,C

Storage features：

The warehouse is ventilated, low temperature and dry; stored separately from food raw materials

Hazard note：

Harmful/Irritant

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P342 + P311

Hazard Statements：

H302 + H312 + H332-H315-H319-H334-H335

GHS Classification：

|Danger|H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P285, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

4-bromophenyl-isothiocyanate

Computed Properties

Molecular Weight:214.08
XLogP3:4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:212.92478
Monoisotopic Mass:212.92478
Topological Polar Surface Area:44.4
Heavy Atom Count:10
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1985-12-2

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Guide of 4-Bromophenyl isothiocyanate

Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Computed Properties
Recommended Suppliers
Latest News
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4-Bromophenyl isothiocyanate

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