Basic information
- CAS
185428-55-1- Standard SMILES
COc1ccc([N+](=O)[O-])c(NC(=O)OC(C)(C)C)c1- InChIKey
IGYXAKCOMRSREX-UHFFFAOYSA-N- Molecular formula
- C12H16N2O5
- Average molar mass
- 268.27 g/mol
- Monoisotopic mass
- 268.10592161
Names & identifiers
- Preferred name
- tert-Butyl (5-methoxy-2-nitrophenyl)carbamate
- IUPAC
- tert-butyl N-(5-methoxy-2-nitrophenyl)carbamate
- English name
- tert-butyl 5-methoxy-2-nitrophenylcarbamate
- Molecular formula
- C12H16N2O5
- Molecular weight
- 268.27
Names & synonyms
185428-55-1tert-Butyl (5-methoxy-2-nitrophenyl)carbamatetert-butyl 5-methoxy-2-nitrophenylcarbamate2-(Boc-amino)-4-methoxy-1-nitrobenzeneTERT-BUTYL N-(5-METHOXY-2-NITROPHENYL)CARBAMATEMFCD28043790Carbamic acid, (5-methoxy-2-nitrophenyl)-, 1,1-dimethylethyl esterN-t-Butoxycarbonyl-5-methoxy-2-nitroanilineTert-butyl N-(5-methoxy-2-nitro-phenyl)carbamateSCHEMBL1130860(5-Methoxy-2-nitro-phenyl)-carbamic acid tert-butyl esterDTXSID30436712
Show more names
N-(tert-Butoxycarbonyl)-5-methoxy-2-nitroaniline(5-Methoxy-2-nitrophenyl)carbamic acid tert-butyl esteCarbamic acid, N-(5-methoxy-2-nitrophenyl)-, 1,1-dimethylethyl ester
IGYXAKCOMRSREX-UHFFFAOYSA-NAKOS027393603AC-29628DS-18734SY039117DB-221923t-Butyl (5-methoxy-2-nitrophenyl)carbamateCS-0154441
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Boiling point
- 353.1 · 353.1±32.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.11 · 12.11±0.70(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2924297099 · 2924297099
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
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers23 total
上海康恩博医药科技有限公司17510465506 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
济南凯西生物科技有限公司13370511208; 15853141736 · [email protected]
Related reactions
15 records
Compound notes
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