Basic information
- CAS
335254-69-8- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(I)cc1[N+](=O)[O-]- InChIKey
YJHGAFUPACBMDJ-UHFFFAOYSA-N- Molecular formula
- C11H13IN2O4
- Average molar mass
- 364.14 g/mol
- Monoisotopic mass
- 363.992
Names & identifiers
- Preferred name
- Tert-butyl (4-iodo-2-nitrophenyl)carbamate
- IUPAC
- tert-butyl N-(4-iodo-2-nitrophenyl)carbamate
- English name
- tert-butyl (4-iodo-2-nitrophenyl)carbaMate
- Molecular formula
- C11H13IN2O4
- Molecular weight
- 364.14
Names & synonyms
335254-69-8TERT-BUTYL (4-IODO-2-NITROPHENYL)CARBAMATEN-Boc-4-iodo-2-nitroanilinetert-butyl N-(4-iodo-2-nitrophenyl)carbamateMFCD14635744SCHEMBL5557413(4-iodo-2-nitro-phenyl)-carbamic acid tert.-butyl esterDTXSID80634928YJHGAFUPACBMDJ-UHFFFAOYSA-NCS-D0098AKOS022175515Tert-butyl 4-iodo-2-nitrophenylcarbamate
Show more names
(4-Iodo-2-nitrophenyl)carbamic acid tert-butyl esterCarbamic acid, N-(4-iodo-2-nitrophenyl)-, 1,1-dimethylethyl ester
SY030218DB-255656tert-butyl N-(4-iodo-2-nitro-phenyl)carbamateEN300-6201424TERT-BUTYL(4-IODO-2-NITROPHENYL)CARBAMATE
Database identifiers
- CAS
335254-69-8- PubChem CID
- 23554339
- DTXSID
DTXSID80634928
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Boiling point
- 358.4 · 358.4±32.0 °C(Predicted)
- Density
- 1.714 · 1.714±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 11.83 · 11.83±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers10 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
Related reactions
191 records
Compound notes
Loading…