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Basic information
- CAS
13680-30-3- Standard SMILES
Cc1cccc(C(C)(C)C)c1N=C=O- InChIKey
VCHAHDOWZAYVEM-UHFFFAOYSA-N- Molecular formula
- C12H15NO
- Average molar mass
- 189.258 g/mol
- Monoisotopic mass
- 189.1153641
Names & identifiers
- Preferred name
- 1-tert-Butyl-2-isocyanato-3-methylbenzene
- IUPAC
- 1-tert-Butyl-2-isocyanato-3-methylbenzene
- English name
- 2-tert-Butyl-6-methylphenyl isocyanate
- Molecular formula
- C12H15NO
- Molecular weight
- 189.25
Names & synonyms
2-METHYL-6-T-BUTYLPHENYL ISOCYANATE2-tert-Butyl-6-methylphenyl isocyanate1-(tert-butyl)-2-isocyanato-3-MethylbenzeneBenzene, 1-(1,1-dimethylethyl)-2-isocyanato-3-methyl-
Database identifiers
- CAS
13680-30-3- PubChem CID
- 3497652
- DTXSID
DTXSID70393052- EC Number
- 621-968-6
Properties
Physicochemical properties
- Melting point
- 34 · 34-38 °C(lit.)
- Boiling point
- 242 °C · 242 °C(lit.)
- Density
- 1.016 · 1.0160 (estimate)
- refractive index
- 1.523 · 1.5230 (estimate)
- Flash point
- 228 °F · 228 °F
- Sensitive
- Moisture Sensitive
- BRN
- 2362965 · 2362965
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H319-H331-H334-H335
- Precautionary statements
- 261 · P261-P280a-P284-P305+P351+P338-P405-P501a
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- ridadr
- 2811
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- Xn
- safety_code
- 26-36
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H315-H319-H331-H334-H335
- Precautionary statements
- P261-P280a-P284-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [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]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
重庆卡兰医药有限公司[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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