Basic information
- CAS
22474-47-1- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1CO- InChIKey
IBQRNQSJJZLSTK-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Overview
2-methyl-5-nitrobenzyl alcohol is a C-nitro compound.
Names & identifiers
- Preferred name
- (2-Methyl-5-nitrophenyl)methanol
- IUPAC
- (2-methyl-5-nitrophenyl)methanol
- English name
- (2-Methyl-5-nitrophenyl)methanol
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
(2-methyl-5-nitrophenyl)methanol22474-47-1DTXSID80393725RefChem:396094DTXCID30344585683-770-6Benzenemethanol, 2-methyl-5-nitro-MFCD002299322-METHYL-5-NITROBENZYL ALCOHOL3-HYDROXYMETHYL-4-METHYL-NITROBENZENE(2-methyl-5-nitro-phenyl)methanol(2-Methyl-5-nitro-phenyl)-methanol
Show more names
2-methyl-5-nitrobenzylalcoholSCHEMBL502546SCHEMBL8480401SCHEMBL16951988CHEBI:210156IBQRNQSJJZLSTK-UHFFFAOYSA-NXAA47447AKOS006273056
Database identifiers
- CAS
22474-47-1- PubChem CID
- 3567085
- DTXSID
DTXSID80393725- ChEBI
CHEBI:210156- EC Number
- 683-770-6
- Nikkaji
- J3.299.507A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Melting point
- 72 · 72-75 °C
- Boiling point
- 342.1 · 342.1±27.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 13.83 · 13.83±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (97.4%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (97.4%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers37 total
上海康恩博医药科技有限公司17510465506 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海凌飞医药科技有限公司15618928656 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
百科源(成都)科技有限公司15021461747 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
上海默达医药科技有限公司+86 (0)21 51320687 51371369 1744605818
Related reactions
7 records
Compound notes
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