Basic information
- CAS
63806-71-3- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(Cl)s1- InChIKey
SLZLJXFJTIAWMB-UHFFFAOYSA-N- Molecular formula
- C9H12ClNO2S
- Average molar mass
- 233.72 g/mol
- Monoisotopic mass
- 233.0277275
Names & identifiers
- Preferred name
- tert-butyl N-(5-chlorothiophen-2-yl)carbamate
- IUPAC
- tert-butyl N-(5-chlorothiophen-2-yl)carbamate
- English name
- (5-Chloro-thiophen-2-yl)-carbamic acid tert-butyl ester
- Molecular formula
- C9H12ClNO2S
- Molecular weight
- 233.72
Names & synonyms
Tert-butyl N-(5-chlorothiophen-2-yl)carbamateRefChem:896243844-915-063806-71-3tert-Butyl (5-chlorothiophen-2-yl)carbamateMFCD06659528(5-CHLORO-THIOPHEN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTERCarbamic acid, (5-chloro-2-thienyl)-, 1,1-dimethylethyl esterN-Boc-2-amino-5-chlorothiophenetert-Butyl(5-chlorothiophen-2-yl)carbamateSCHEMBL1504066DTXSID50469264
Show more names
Carbamic acid, N-(5-chloro-2-thienyl)-, 1,1-dimethylethyl ester
SLZLJXFJTIAWMB-UHFFFAOYSA-NAKOS015998876tert-butyl 5-chloro-2-thienylcarbamateBS-17280SY317122t-butyl (5-chlorothiophen-2-yl)carbamatetert-butyl (5-chloro-2-thienyl)carbamateDB-309254
Database identifiers
- CAS
63806-71-3- PubChem CID
- 11601095
- DTXSID
DTXSID50469264- EC Number
- 844-915-0
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 142 · 142-143 °C
- Boiling point
- 259.6 · 259.6±25.0 °C(Predicted)
- Density
- 1.299 · 1.299±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 12.76 · 12.76±0.70(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers30 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Related reactions
2 records
Compound notes
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