Basic information
- CAS
6622-39-5- Standard SMILES
Cc1cccc(C)c1NC(=O)OC(C)C- InChIKey
FYJODTHONVGERQ-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- Isopropyl N-(2,6-xylyl)carbamate
- IUPAC
- propan-2-yl N-(2,6-dimethylphenyl)carbamate
- English name
- Carbamic acid, (2,6-dimethylphenyl)-, 1-methylethyl ester(9CI)
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.26888
Names & synonyms
ISOPROPYL N-(2,6-XYLYL)CARBAMATERefChem:792199666-171-46622-39-5NSC57712DTXSID30984708NSC-57712AKOS024336009Propan-2-yl hydrogen (2,6-dimethylphenyl)carbonimidateCarbamic acid, (2,6-dimethylphenyl)-, 1-methylethyl ester(9CI)
Database identifiers
- CAS
6622-39-5- PubChem CID
- 245604
- DTXSID
DTXSID30984708- EC Number
- 666-171-4
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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