Basic information
- CAS
480439-19-8- Standard SMILES
Cc1cc(C)c(N=C=O)c(C)c1Br- InChIKey
PXIWEPBSGPAODI-UHFFFAOYSA-N- Molecular formula
- C10H10BrNO
- Average molar mass
- 240.1 g/mol
- Monoisotopic mass
- 238.99458
Names & identifiers
- Preferred name
- 3-Bromo-2,4,6-trimethylphenyl isocyanate
- IUPAC
- 2-bromo-4-isocyanato-1,3,5-trimethylbenzene
- English name
- 3-BROMO-2 4 6-TRIMETHYLPHENYL ISOCYANAT&
- Molecular formula
- C10H10BrNO
- Molecular weight
- 240.1
Names & synonyms
3-Bromo-2,4,6-trimethylphenyl isocyanate480439-19-82-bromo-4-isocyanato-1,3,5-trimethylbenzene2-bromo-4-isocyanato-1,3,5-trimethyl-benzeneSCHEMBL3837709DTXSID90403501MFCD03790004AS-87231G786403-Bromo-2,4,6-trimethylphenyl isocyanate, 96%F8626683-BROMO-2 4 6-TRIMETHYLPHENYL ISOCYANAT&
Show more names
Benzene, 2-bromo-4-isocyanato-1,3,5-trimethyl-
Database identifiers
- CAS
480439-19-8- PubChem CID
- 4459710
- DTXSID
DTXSID90403501- EC Number
- 119-490-3
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 37 · 37-42 °C(lit.)
- Flash point
- 220 °F · 220 °F
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H334-H335
- Precautionary statements
- 261 · P261-P305+P351+P338-P342+P311
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H334-H335
- Precautionary statements
- P261-P305+P351+P338-P342+P311
Chemistry & industry
Suppliers8 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Aladdin Scientific[email protected]
重庆卡兰医药有限公司[email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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