CAS 30095-98-8 Methyl 2-(2-nitrophenyl)acetate (HCID 520464)

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Basic information

CAS: 30095-98-8
Standard SMILES: COC(=O)Cc1ccccc1[N+](=O)[O-]
InChIKey: SWMFAAPTSMVULA-UHFFFAOYSA-N
Molecular formula: C9H9NO4
Average molar mass: 195.17 g/mol
Monoisotopic mass: 195.05315777

Names & identifiers

Preferred name: Methyl 2-(2-nitrophenyl)acetate
IUPAC: methyl 2-(2-nitrophenyl)acetate
English name: Methyl (2-nitro-phenyl)-acetate
Molecular formula: C9H9NO4
Molecular weight: 195.17

Names & synonyms

methyl 2-(2-nitrophenyl)acetate30095-98-8DTXSID30334360RefChem:813282DTXCID40285450888-922-7Methyl (2-nitrophenyl)acetateMFCD00968465METHYL (2-NITRO-PHENYL)-ACETATEBenzeneacetic acid, 2-nitro-, methyl ester2-NITROPHENYLACETIC ACID METHYL ESTER(2-Nitrophenyl)acetic acid, methyl ester

Show more names

Benzocaine Impurity 12METHYL (NITRO-PHENYL)-ACETATEMETHYL2-(2-NITHROPHENYL)-ACETATE2-Nitrobenzeneacetic acid methyl2-(2-Nitrophenyl)acetic acid methylo-Nitrophenylacetic acid methyl ester

Methyl(2-NitropMethyl o-nitrophenylacetateMethyl 2-nitrophenylacetateSCHEMBL908565methyl2-(2-nitrophenyl)acetateSCHEMBL29923859Methyl (2-nitrophenyl)acetate #Methyl 2-nitrophenylacetate, 97%

Database identifiers

CAS: 30095-98-8
PubChem CID: 520464
DTXSID: DTXSID30334360
EC Number: 888-922-7
Nikkaji: J47.337E

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 72.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 223

Experimental & physicochemical properties

Kovats Retention Index1554

Physicochemical properties

Boiling point: 112 · 112-115°/2mm
storage temp.: Sealed in dry,Room Temperature
Appearance: Light yellow to brown Solid-Liquid Mixture
InChI: 1S/C9H9NO4/c1-14-9(11)6-7-4-2-3-5-8(7)10(12)13/h2-5H,6H2,1H3
SMILES: O=[N+]([O-])C(C=CC=C1)=C1CC(OC)=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 332 · H332-H302-H335-H315-H312-H319
Precautionary statements: 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501
HS Code: 2915390090 · 2915390090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2915390090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H332-H302-H335-H315-H312-H319
Precautionary statements: P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501