1-Bromo-2-isocyanatobenzene

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Names

[ CAS No. ]:
1592-00-3

[ Name ]:
1-Bromo-2-isocyanatobenzene

[Synonym ]:
Benzene, 1-bromo-2-isocyanato-
2-Bromophenyl isocyanate
MFCD00001995
Isocyanic Acid 2-Bromophenyl Ester
1-Bromo-2-isocyanatobenzene

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
281.6±0.0 °C at 760 mmHg

[ Molecular Formula ]:
C7H4BrNO

[ Molecular Weight ]:
198.017

[ Flash Point ]:
92.2±22.6 °C

[ Exact Mass ]:
196.947617

[ PSA ]:
29.43000

[ LogP ]:
3.30

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.581

[ Storage condition ]:
Refrigerator (+4°C)

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS06, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H315-H319-H331-H334-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338-P311

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn,T,Xi:Toxic/Irritant;

[ Risk Phrases ]:
R42

[ Safety Phrases ]:
S36/37/39-S26-S23-S45

[ RIDADR ]:
2206

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2929109000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Triphosgene
  • 2-Bromoaniline
  • 2-Bromobenzoyl chloride
  • phosgene
  • 2-Bromobenzoic acid

DownStream

  • 1-METHYL-2-BENZIMIDAZOLINONE
  • 1,1-dibenzyl-3-(2-bromophenyl)urea
  • 2,4(1H,3H)-Quinazolinedione,3-butyl-
  • SB 452533

Customs

[ HS Code ]: 2929109000

[ Summary ]:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Selective synthesis of a [3]rotaxane consisting of size-complementary components and its stepwise deslippage.

Org. Lett. 14(9) , 2226-9, (2012)

An α-cyclodextrin-based size-complementary [3]rotaxane with an alkylene axle was selectively synthesized in one pot via an end-capping reaction with 2-bromophenyl isocyanate in water. Thermal degradat...

Discovery of SB-705498: a potent, selective and orally bioavailable TRPV1 antagonist suitable for clinical development.

Bioorg. Med. Chem. Lett. 16(12) , 3287-91, (2006)

Small molecule antagonists of the vanilloid receptor TRPV1 (also known as VR1) are disclosed. Pyrrolidinyl ureas such as 8 and 15 (SB-705498) emerged as lead compounds following optimisation of the pr...

Discovery of potent and orally bioavailable N,N'-diarylurea antagonists for the CXCR2 chemokine receptor.

Bioorg. Med. Chem. Lett. 14(17) , 4375-8, (2004)

A series of 3-substituted N,N'-diarylureas was prepared and the structure-activity relationship relative to CXCR2 receptor affinity as well as their pharmacokinetic properties were examined. In vitro ...


More Articles

Related Compounds

  • (1-bromo-2,3-dimethylbutan-2-yl) carbonochloridate
  • 1-bromo-2-tert-butoxy-2-methyl-propane
  • 1-Bromo-2,5-difluoro-4-nitrobenzene
  • 1-bromo-2-(2-bromo-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene
  • 1-bromo-2-(bromomethyl)-4-methylsulfanylbenzene
  • 1-bromo-2-methylsulfanylethane
  • N-[(3-Ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]but-2-ynamide
  • Tert-butyl (3-(3-aminophenoxy)benzyl)carbamate
  • 2-Chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile
  • 3'-Bromo-2'-chloro-5'-(trifluoromethyl)phenacyl bromide
  • N-[3-[2-(2-Methylpyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide
  • N-[(1R)-1-(2-Methoxyphenyl)ethyl]-N-methylbut-2-ynamide
  • Unii-W2icf5Z2AN
  • 6-[5-[2-(1,2-Benzoxazol-3-yl)acetyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
  • N-(1-Quinoxalin-2-ylpiperidin-3-yl)prop-2-enamide
  • 2-Chloro-N-[2-(1H-indazol-6-yl)ethyl]acetamide