Acetic acid, 2-nitrophenyl ester

HCID 11890
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Substructure searchFind similar structures

Basic information

CAS
610-69-5
Standard SMILES
CC(=O)Oc1ccccc1[N+](=O)[O-]
InChIKey
MRCKRGSNLOHYRA-UHFFFAOYSA-N
Molecular formula
C8H7NO4
Average molar mass
181.15 g/mol
Monoisotopic mass
181.0375077

Names & identifiers

Preferred name
Acetic acid, 2-nitrophenyl ester
IUPAC
(2-nitrophenyl) acetate
English name
2-NITROPHENYL ACETATE
Molecular formula
C8H7NO4
Molecular weight
181.15

Names & synonyms

2-NITROPHENYL ACETATE610-69-5o-Nitrophenyl acetateAcetic acid, 2-nitrophenyl ester2-Nitrophenol acetateAcetic acid, o-nitrophenyl esterAI3-21066NSC 5397EINECS 210-233-1DTXSID7060590RefChem:552169DTXCID2042937
Show more names
-Nitrophenylacetate(2-nitrophenyl) ethanoateaceticacid,2-nitrophenylesterAcetic acid 2-nitrophenyl ester, 2-Acetoxynitrobenzene
210-233-1(2-nitrophenyl) acetateMFCD00007095Nitrophenyl Acetateo-NPAM2F7VE48GBNSC-53972-NITROPHENYLACETATE

Database identifiers

CAS
610-69-5
PubChem CID
11890
DTXSID
DTXSID7060590
ChEMBL
CHEMBL460363
UNII
M2F7VE48GB
EC Number
210-233-1
Nikkaji
J840K

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
72.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
13

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point
LogP1.55

Physicochemical properties

Melting point
39 · 39-41 °C(lit.)
Boiling point
141 °C/11 · 141 °C/11 mmHg(lit.)
Density
1.4283 · 1.4283 (rough estimate)
vapor pressure
0.889 Pa · 0.889Pa at 20℃
refractive index
1.5468 · 1.5468 (estimate)
Flash point
113 °C · 113 °C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 12-04-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17212

Acetic acid, 2-nitrophenyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Sens. 1 (97.6%)

Safety data

tsca
TSCA listed
hs_code
2915390090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
REACH Registrations
Active

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationAcetic acid, 2-nitrophenyl ester: INACTIVE

Upstream & downstream products

Downstream products

Suppliers25 total

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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