Basic information
- CAS
345893-26-7- Standard SMILES
Cc1ccc(NC(=O)OC(C)(C)C)cc1O- InChIKey
DXXABMONDYMFCC-UHFFFAOYSA-N- Molecular formula
- C12H17NO3
- Average molar mass
- 223.27 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-(3-hydroxy-4-methylphenyl)carbamate
- IUPAC
- tert-butyl N-(3-hydroxy-4-methylphenyl)carbamate
- English name
- tert-butyl 3-hydroxy-4-methylphenylcarbamate
- Molecular formula
- C12H17NO3
- Molecular weight
- 223.27
Names & synonyms
345893-26-7tert-butyl N-(3-hydroxy-4-methylphenyl)carbamateRefChem:895979843-407-6tert-butyl (3-hydroxy-4-methylphenyl)carbamate5-(Boc-amino)-2-methylphenolMFCD20414278Carbamic acid, (3-hydroxy-4-methylphenyl)-, 1,1-dimethylethyl estertert-butyl(3-hydroxy-4-methylphenyl)carbamatetert-butyl 3-hydroxy-4-methylphenylcarbamateSCHEMBL4945924DXXABMONDYMFCC-UHFFFAOYSA-N
Show more names
Carbamic acid, N-(3-hydroxy-4-methylphenyl)-, 1,1-dimethylethyl ester
VNA89326AC7985AKOS014122577AS-3152DA-42690SY151296CS-0160388t-Butyl (3-hydroxy-4-methylphenyl)carbamate
Database identifiers
- CAS
345893-26-7- PubChem CID
- 44668374
- EC Number
- 843-407-6
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 298.6 · 298.6±33.0 °C(Predicted)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 10.04 · 10.04±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H317
- Precautionary statements
- 305 · P305+P351+P338-P280
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)
The GHS information provided by 1 company from 1 notification 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
- H319-H317
- Precautionary statements
- P305+P351+P338-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers21 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]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
上海伍平生物科技有限公司18501609135 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
苏州致信生物科技有限公司0512-65118909 18100677375 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]
Related reactions
8 records
Compound notes
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