4-Chloro-2-nitrobenzaldehyde

HCID 79674

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Basic information

CAS: 5551-11-1
Standard SMILES: O=Cc1ccc(Cl)cc1[N+](=O)[O-]
InChIKey: MZPNQUMLOFWSEK-UHFFFAOYSA-N
Molecular formula: C7H4ClNO3
Average molar mass: 185.56 g/mol
Monoisotopic mass: 184.98797067

Names & identifiers

Preferred name: 4-Chloro-2-nitrobenzaldehyde
IUPAC: 4-chloro-2-nitrobenzaldehyde
English name: 4-Chloro-2-nitrobenzaldehyde
Molecular formula: C7H4ClNO3
Molecular weight: 185.56

Names & synonyms

4-Chloro-2-nitrobenzaldehyde5551-11-1Benzaldehyde, 4-chloro-2-nitro-EINECS 226-915-7DTXSID90204090RefChem:98392DTXCID90126581226-915-7MZPNQUMLOFWSEK-UHFFFAOYSA-NMFCD000561044-chloro-2-nitro-benzaldehyde2-NITRO-4-CHLOROBENZALDEHYDE

Show more names

0/1/514-Chloro-2-nitrobenz4-chloro-2-nitrobenzaldehyde*crystalline

Clomipramine Intermediatesp-Chlor-o-nitrobenzaldehydP9LEW3T5F9SCHEMBL203086SCHEMBL7664972SCHEMBL29708112CL8341AKOS005255276

Database identifiers

CAS: 5551-11-1
PubChem CID: 79674
DTXSID: DTXSID90204090
UNII: P9LEW3T5F9
EC Number: 226-915-7
Nikkaji: J208.231D

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 62.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 192

Physicochemical properties

Melting point: 68 °C · 68 °C
Boiling point: 305.2 · 305.2±27.0 °C(Predicted)
Density: 1.485 · 1.485±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform
form: Solid
color: Yellow
InChI: 1S/C7H4ClNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H
InChIKey: MZPNQUMLOFWSEK-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cc(Cl)ccc1C=O
CAS DataBase Reference: 5551 · 5551-11-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39-36
WGK Germany: 3 · 3
HS Code: 29130000 · 29130000
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29130000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39-36
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313