1,2-Benzenedicarboxamide, 4-nitro-

HCID 83167

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Basic information

CAS: 13138-53-9
Standard SMILES: NC(=O)c1ccc([N+](=O)[O-])cc1C(N)=O
InChIKey: XWCDSCYRIROFIO-UHFFFAOYSA-N
Molecular formula: C8H7N3O4
Average molar mass: 209.16 g/mol
Monoisotopic mass: 209.04365571

Names & identifiers

Preferred name: 1,2-Benzenedicarboxamide, 4-nitro-
IUPAC: 4-nitrobenzene-1,2-dicarboxamide
English name: 4-Nitrophthaldiamide
Molecular formula: C8H7N3O4
Molecular weight: 209.16

Names & synonyms

4-Nitrophthaldiamide1,2-Benzenedicarboxamide, 4-nitro-EINECS 236-070-6NSC 94821DTXSID9065360RefChem:411093DTXCID2034041236-070-64-Nitrophthalamide13138-53-94-nitrobenzene-1,2-dicarboxamideC8H7N3O4

Show more names

4-NitrophthaldiamidNitrophthalamide,98%4-nitro phthalic aMide4-NITROPHTHALAMIDE 99%4-NITROPHTHALIC ACID DIAMIDE4-nitro-2-benzenedicarboxamide1,2-BENZENEDICARBOXAMIDE,4-NITRO-

MFCD00052702NSC94821Maybridge1_0032714-Nitrophthalamide, 99%NCIOpen2_006090SCHEMBL6398309HMS550M15XWCDSCYRIROFIO-UHFFFAOYSA-

Database identifiers

CAS: 13138-53-9
PubChem CID: 83167
DTXSID: DTXSID9065360
EC Number: 236-070-6
Nikkaji: J317.826I

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 132 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 299

Physicochemical properties

Melting point: 195 °C · 195 °C (dec.) (lit.)
storage temp.: room temp
form: powder or crystals
Appearance: Off-white to light yellow Solid
CAS DataBase Reference: 13138 · 13138-53-9(CAS DataBase Reference)
EPA Substance Registry System: 1 · 1,2-Benzenedicarboxamide, 4-nitro- (13138-53-9)
UNSPSC Code: 12171500 · 12171500
NACRES: 47 · NA.47
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 1 · 1
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.