5-bromo-2-isocyanato-1,3-dimethylbenzene

Modify Date: 2025-08-23 19:54:11

5-bromo-2-isocyanato-1,3-dimethylbenzene Structure
5-bromo-2-isocyanato-1,3-dimethylbenzene structure
Common Name 5-bromo-2-isocyanato-1,3-dimethylbenzene
CAS Number 77159-76-3 Molecular Weight 226.07000
Density 1.39g/cm3 Boiling Point 280.5ºC at 760 mmHg
Molecular Formula C9H8BrNO Melting Point 62-64ºC(lit.)
MSDS Chinese USA Flash Point 123.5ºC
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 5-bromo-2-isocyanato-1,3-dimethylbenzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.39g/cm3
Boiling Point 280.5ºC at 760 mmHg
Melting Point 62-64ºC(lit.)
Molecular Formula C9H8BrNO
Molecular Weight 226.07000
Flash Point 123.5ºC
Exact Mass 224.97900
PSA 29.43000
LogP 3.03320
Index of Refraction 1.563
InChIKey XGBDVSJAHTYSBK-UHFFFAOYSA-N
SMILES Cc1cc(Br)cc(C)c1N=C=O

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H312-H315-H319-H332-H335
Precautionary Statements P261-P280-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn: Harmful;
Risk Phrases R23/25;R36/37/38;R42
Safety Phrases S22-S26-S36/37/39-S45
RIDADR UN 2206
Packaging Group III
Hazard Class 6.1
HS Code 2929109000

 Synthetic Route

~73%

5-bromo-2-isocyanato-1,3-dimethylbenzene Structure

5-bromo-2-isocy...

CAS#:77159-76-3

Literature: Tietz, Helmuth; Unverferth, Klaus; Schwetlick, Klaus Zeitschrift fuer Chemie (Stuttgart, Germany), 1980 , vol. 20, # 8 p. 295 - 296

 Customs

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

 Synonyms

MFCD00037040
2,6-Dimethyl-4-bromphenylisocyanat
4-Bromo-2,6-dimethylphenyl isocyanate
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