CAS 25784-91-2 Benzoyl chloride, 2-chloro-5-nitro- (HCID 117637)

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Basic information

CAS: 25784-91-2
Standard SMILES: O=C(Cl)c1cc([N+](=O)[O-])ccc1Cl
InChIKey: OGLKKYALUKXVPQ-UHFFFAOYSA-N
Molecular formula: C7H3Cl2NO3
Average molar mass: 220.01 g/mol
Monoisotopic mass: 218.94899832

Names & identifiers

Preferred name: Benzoyl chloride, 2-chloro-5-nitro-
IUPAC: 2-chloro-5-nitrobenzoyl chloride
English name: 2-Chloro-5-nitrobenzoyl chloride
Molecular formula: C7H3Cl2NO3
Molecular weight: 220.01

Names & synonyms

2-Chloro-5-nitrobenzoyl chloride25784-91-2Benzoyl chloride, 2-chloro-5-nitro-EINECS 247-262-4DTXSID9067148RefChem:566451DTXCID2037390247-262-42-Chloro-5-nitrobenzoylchlorideMFCD000591802-chloro-5-nitro-benzoyl chloride2-chloro-5-nitrobenzoic acid chloride

Show more names

SKL12842-Chloro-5-Nitrobenzoyl2-chloro-5-nitro-benzoylchlorid2-Chloro-5-nitrobenzoyl Chloride >2-Chloro-5-nitrobenzoic acid chloride

Vismodegib Impurity 21SCHEMBL398463YJ6SH68V492-chloro-5nitrobenzoyl chloride2-chloro-5-nitro-benzoic chlorideAKOS003634134GS-6063AC-26027

Database identifiers

CAS: 25784-91-2
PubChem CID: 117637
DTXSID: DTXSID9067148
UNII: YJ6SH68V49
EC Number: 247-262-4
Nikkaji: J150.846F

Properties

Computed structural properties

XLogP: 3
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: 228

Physicochemical properties

Melting point: 58 · 58-60°C
Boiling point: 157 · 157-158°C 11mm
Density: 1.575 · 1.575±0.06 g/cm3(Predicted)
Flash point: 157 · 157-158°C/11mm
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder to crystal
color: White to Orange to Green
Sensitive: Moisture Sensitive
BRN: 2213721 · 2213721
InChI: InChI=1S/C7H3Cl2NO3/c8-6-2-1-4(10(12)13)3-5(6)7(9)11/h1-3H
InChIKey: OGLKKYALUKXVPQ-UHFFFAOYSA-N
SMILES: C(Cl)(=O)C1=CC([N+]([O-])=O)=CC=C1Cl
CAS DataBase Reference: 25784 · 25784-91-2(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2-Chloro-5-nitrobenzoyl chloride(25784-91-2)
EPA Substance Registry System

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H290 (14.3%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesMet. Corr. 1 (14.3%)

Safety data

tsca: TSCA listed
ridadr: 3261
hs_code: 2916.39.7900
risk_code: 34-41
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard statements: H290-H314-H318
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501