Basic information
- CAS
37777-81-4- Standard SMILES
Cc1ccc([N+](=O)[O-])c(CC(=O)O)c1- InChIKey
SKFYNOGBJGWWOB-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
- Monoisotopic mass
- 195.05315777
Names & identifiers
- Preferred name
- 2-(5-Methyl-2-nitrophenyl)acetic acid
- IUPAC
- 2-(5-methyl-2-nitrophenyl)acetic acid
- English name
- (5-Methyl-2-nitro-phenyl)-acetic acid
- Molecular formula
- C9H9NO4
- Molecular weight
- 195.17
Names & synonyms
2-(5-methyl-2-nitrophenyl)acetic acidRefChem:458939965-342-337777-81-4(5-Methyl-2-nitrophenyl)acetic acid5-Methyl-2-nitrophenylacetic acidMFCD08276003(5-METHYL-2-NITRO-PHENYL)-ACETIC ACID2-(5-methyl-2-nitro-phenyl)acetic acid2-(5-Methyl-2-nitrophenyl)aceticAcidSCHEMBL2569089DTXSID90563492
Show more names
5-Methyl-2-nitrobenzeneacetic acidBenzeneacetic acid, 5-methyl-2-nitro-
SKFYNOGBJGWWOB-UHFFFAOYSA-N2-nitro-5-methyl-phenylacetic acidAKOS006284766AC-29472CS-11776SY030005DB-069595F31092
Database identifiers
- CAS
37777-81-4- PubChem CID
- 14740976
- DTXSID
DTXSID90563492- EC Number
- 965-342-3
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 149 ℃ · 149℃
- Boiling point
- 369.5 · 369.5±27.0 °C(Predicted)
- Density
- 1.346 · 1.346±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.95 · 3.95±0.10(Predicted)
- form
- solid
- color
- Light brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2916399090 · 2916399090
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
- hs_code
- 2916399090
- 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
Suppliers37 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
泰州同新生物医药科技有限公司
Related reactions
12 records
Compound notes
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