CAS 75618-41-6 2,3-Dichloro-6-nitrobenzaldehyde (HCID 11218271)

Substructure search Find similar structures

Basic information

CAS: 75618-41-6
Standard SMILES: O=Cc1c([N+](=O)[O-])ccc(Cl)c1Cl
InChIKey: WIYQPLPGNFOLGH-UHFFFAOYSA-N
Molecular formula: C7H3Cl2NO3
Average molar mass: 220.01 g/mol
Monoisotopic mass: 218.94899832

Names & identifiers

Preferred name: 2,3-Dichloro-6-nitrobenzaldehyde
IUPAC: 2,3-dichloro-6-nitrobenzaldehyde
English name: 2,3-Dichloro-6-nitrobenzaldehyde
Molecular formula: C7H3Cl2NO3
Molecular weight: 220.01

Names & synonyms

2,3-dichloro-6-nitrobenzaldehyde75618-41-6DTXSID90459088RefChem:81601DTXCID90409907616-245-7Benzaldehyde, 2,3-dichloro-6-nitro-MFCD060908402,3-Dichlor-6-nitro-benzaldehyd2,3-dichloro-6-nitro-benzaldehyde3A6FKF5ADPSCHEMBL272834

Show more names

WIYQPLPGNFOLGH-UHFFFAOYSA-NALBB-023263Benzaldehyde, 2,3-dichloro-6-nitroAKOS003346165AT21892LS-07297SY246794DS-016291

Database identifiers

CAS: 75618-41-6
PubChem CID: 11218271
DTXSID: DTXSID90459088
UNII: 3A6FKF5ADP
EC Number: 616-245-7

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 62.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 218

Physicochemical properties

Melting point: 86.5 ℃ · 86.5℃ (ethanol )
Boiling point: 325.4 · 325.4±42.0 °C(Predicted)
Density: 1.607 · 1.607±0.06 g/cm3(Predicted)
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
color: Off-White to Pale Beige
Symbol(GHS): 5 · GHS05,GHS09
Signal word: Danger
Hazard statements: 411 · H411-H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS09
Hazard statements: H411-H314
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Chemistry & industry

Applications

Uses2,3-Dichloro-6-nitrobenzaldehyde is a reactant used in the synthesis of Staurosporinone (K000510) analogues. Staurosporinone acts as a protein kinase C inhibitor of microbial origin.