1-Bromo-2-isocyanatobenzene

Modify Date: 2024-01-10 16:38:45

1-Bromo-2-isocyanatobenzene Structure
1-Bromo-2-isocyanatobenzene structure
Common Name 1-Bromo-2-isocyanatobenzene
CAS Number 1592-00-3 Molecular Weight 198.017
Density 1.5±0.1 g/cm3 Boiling Point 281.6±0.0 °C at 760 mmHg
Molecular Formula C7H4BrNO Melting Point N/A
MSDS USA Flash Point 92.2±22.6 °C
Symbol GHS06 GHS08
GHS06, GHS08
Signal Word Danger

 Names

Name 2-bromophenyl isocyanate
Synonym More Synonyms

 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)

 Safety Information

Symbol GHS06 GHS08
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

~99%

1-Bromo-2-isocyanatobenzene Structure

1-Bromo-2-isocy...

CAS#:1592-00-3

Literature: Liu, Dazhi; Tian, Zhen; Yan, Zhihui; Wu, Lixin; Ma, Yan; Wang, Quan; Liu, Wei; Zhou, Honggang; Yang, Cheng Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 11 p. 2960 - 2967

~%

1-Bromo-2-isocyanatobenzene Structure

1-Bromo-2-isocy...

CAS#:1592-00-3

Literature: Gazzetta Chimica Italiana, , vol. 118, # 12 p. 819 - 820

~%

1-Bromo-2-isocyanatobenzene Structure

1-Bromo-2-isocy...

CAS#:1592-00-3

Literature: Bioorganic and Medicinal Chemistry, , vol. 17, # 23 p. 8102 - 8112

~%

1-Bromo-2-isocyanatobenzene Structure

1-Bromo-2-isocy...

CAS#:1592-00-3

Literature: Gazzetta Chimica Italiana, , vol. 118, # 12 p. 819 - 820

 Customs

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

 Articles3

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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...

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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 ...

 Synonyms

Benzene, 1-bromo-2-isocyanato-
2-Bromophenyl isocyanate
MFCD00001995
Isocyanic Acid 2-Bromophenyl Ester
1-Bromo-2-isocyanatobenzene
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