4'-Nitrobenzanilide

HCID 76930
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Basic information

CAS
3393-96-2
Standard SMILES
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIKey
GMGQGZYFQSCZCW-UHFFFAOYSA-N
Molecular formula
C13H10N2O3
Average molar mass
242.23 g/mol
Monoisotopic mass
242.06914218

Names & identifiers

Preferred name
4'-Nitrobenzanilide
IUPAC
N-(4-nitrophenyl)benzamide
English name
4'-Nitrobenzanilide
Molecular formula
C13H10N2O3
Molecular weight
242.23

Names & synonyms

4'-NitrobenzanilideN-(4-Nitrophenyl)benzamide3393-96-2Benzamide, N-(4-nitrophenyl)-AI3-30845EINECS 222-241-2NSC 82120DTXSID70187554RefChem:506218DTXCID30110045222-241-2N-(p-Nitrophenyl)benzamide
Show more names
nitrobenzanilideBenzanilide,4’-nitro-4'-Nitrobenzanilide>N-Benzoyl-p-nitroanilineN-Benzoyl-4-nitroanilinep-Nitro-N-benzoylaniline4''-NITROBENZANILIDE 97+%
MFCD00024619N-Benzoyl-p-nitroanilineBenzanilide, 4'-nitro-p'-NitrobenzanilideAniline, N-benzoyl-p-nitro-N-(4-Nitro-phenyl)-benzamideBenzamide, N-(p-nitrophenyl)-Benzanilide, 4'-nitro

Database identifiers

CAS
3393-96-2
PubChem CID
76930
DTXSID
DTXSID70187554
ChEMBL
CHEMBL1520524
UNII
PVS8N4KV2S
EC Number
222-241-2
Nikkaji
J205.496E

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
74.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
18

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift
Solubility2.2 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point
202 · 202-204°C
storage temp.
Store at room temperature
form
powder to crystal
color
White to Orange to Green
CAS DataBase Reference
3393 · 3393-96-2(CAS DataBase Reference)
FDA UNII
8 N4KV2S · PVS8N4KV2S

Safety & regulation

GHS classification

GHS Classification · 4 items

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

hs_code
2924.29.9500
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_class
IRRITANT
Hazard statements
H319

Chemistry & industry

Upstream & downstream products

Suppliers51 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

Related reactions

12 records
New reaction record

Compound notes

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