Completing data — usually done within a minute
Basic information
- Standard SMILES
Cc1ccccc1NC(=O)OC(C)(C)C- InChIKey
UMDAFUNCFQYMDP-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.273 g/mol
- Monoisotopic mass
- 207.12592878
Names & identifiers
- Preferred name
- tert-butyl o-tolylcarbamate
- IUPAC
- tert-Butyl (2-methylphenyl)carbamate
- English name
- O-TOLYL-CARBAMIC ACID TERT-BUTYL ESTER
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
tert-butyl o-tolylcarbamatetert-Butyl (2-methylphenyl)carbamateO-TOLYL-CARBAMIC ACID TERT-BUTYL ESTEO-TOLYL-CARBAMIC ACID TERT-BUTYL ESTERtert-Butyl N-(2-methylphenyl)carbamate(2-Methylphenyl)carbaMic Acid 1,1-DiMethylethyl EsterCarbamic acid, N-(2-methylphenyl)-, 1,1-dimethylethyl esterCarbamic acid, (2-methylphenyl)-, 1,1-dimethylethyl ester (9CI)
Database identifiers
- CAS
74965-31-4- PubChem CID
- 9815662
- DTXSID
DTXSID20431175- EC Number
- 800-205-2
- Nikkaji
- J416.448B
Properties
Physicochemical properties
- Melting point
- 82 · 82-83 °C
- Boiling point
- 250.4 · 250.4±19.0 °C(Predicted)
- Density
- 1.064 · 1.064±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Acetone, Dichloromethane
- form
- solid
- pka
- 13.87 · 13.87±0.70(Predicted)
- InChI
- 1S/C9H5BrClN/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H
- InChIKey
- ZXSUGMMMZOMZTD-UHFFFAOYSA-N
- SMILES
- ClC1=NC(C(C=C1)=CC=C2)=C2Br
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- HS Code
- 2924190090 · 2924190090
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Dam. 1
Safety & regulation
Safety data
- wgk
- WGK 3
- hs_code
- 2924190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers23 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
安徽合诺生物科技有限公司0555-2761852
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
安徽合诺生物科技有限公司18455579438
郑州药领医药科技有限公司13526569071 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海皓骏医药科技有限公司021-34621078 13120882795 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
禹州焓碳医药科技有限公司19963477321; 19963477321 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
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