Basic information
- CAS
90223-38-4- Standard SMILES
CCOC(=O)Nc1ccncc1[N+](=O)[O-]- InChIKey
VENNERPQXXLLRT-UHFFFAOYSA-N- Molecular formula
- C8H9N3O4
- Average molar mass
- 211.17 g/mol
- Monoisotopic mass
- 211.05930578
Names & identifiers
- Preferred name
- ethyl N-(3-nitropyridin-4-yl)carbamate
- IUPAC
- ethyl N-(3-nitro-4-pyridinyl)carbamate
- English name
- ethyl (3-nitropyridin-4-yl)carbaMate
- Molecular formula
- C8H9N3O4
- Molecular weight
- 211.17
Names & synonyms
90223-38-4ethyl (3-nitropyridin-4-yl)carbamateEthyl (3-nitro-4-pyridinyl)carbamateethyl 3-nitropyridin-4-ylcarbaMateethyl N-(3-nitropyridin-4-yl)carbamateCambridge id 5231185Oprea1_477053CBDivE_012971Carbamic acid, N-(3-nitropyrid-4-yl)-, ethyl esterVENNERPQXXLLRT-UHFFFAOYSA-NEthyl(3-nitro-4-pyridinyl)carbamateEthyl 3-nitro-4-pyridinylcarbamate #
Show more names
Carbamic acid, (3-nitro-4-pyridinyl)-, ethyl ester (9CI)
L10136AB00076079-01
Database identifiers
- CAS
90223-38-4- PubChem CID
- 564403
- EC Number
- 688-220-9
- Nikkaji
- J2.163.061F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 62 °C · 62 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 297.4 · 297.4±25.0 °C(Predicted)
- Density
- 1.403 · 1.403±0.06 g/cm3(Predicted)
- pka
- 11.35 · 11.35±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
武汉罗化科技有限公司13477084141; 13477084141 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…