Basic information
- Standard SMILES
O=C(Cl)c1ccc([N+](=O)[O-])cc1Cl- InChIKey
KTHNITVDTYAHFF-UHFFFAOYSA-N- Molecular formula
- C7H3Cl2NO3
- Average molar mass
- 220.01 g/mol
- Monoisotopic mass
- 218.94899832
Names & identifiers
- Preferred name
- Benzoyl chloride, 2-chloro-4-nitro-
- IUPAC
- 2-chloro-4-nitrobenzoyl chloride
- English name
- 2-CHLORO-4-NITROBENZOYL CHLORIDE
- Molecular formula
- C7H3Cl2NO3
- Molecular weight
- 220.01
Names & synonyms
2-Chloro-4-nitrobenzoyl chloride7073-36-1Benzoyl chloride, 2-chloro-4-nitro-EINECS 230-367-4DTXSID4064559RefChem:566450DTXCID8046791230-367-42-chloro-4-nitrobenzoylchlorideMFCD000515152-chloro-4-nitro-benzoyl chlorideProcaine Impurity 2
Show more names
2-Chlor-4-nitrobenzoylchlorid4-Nitro-2-chlorobenzoyl chloride2-Chloro-4-nitrobenzoyl Chloride >
SCHEMBL752917AKOS015850048AS-33122SY076973DB-020840NS00037107ST510401292-Chloro-4-nitrobenzoyl chloride, AldrichCPR
Database identifiers
- CAS
7073-36-1- PubChem CID
- 81522
- DTXSID
DTXSID4064559- EC Number
- 230-367-4
- Nikkaji
- J150.845H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Melting point
- 26 °C · 26°C
- Boiling point
- 165 °C · 165°C 20mm
- Density
- 1.575 · 1.575±0.06 g/cm3(Predicted)
- refractive index
- 1.595 · 1.5950
- Flash point
- 165 °C/20mm · 165°C/20mm
- storage temp.
- RT, stored under nitrogen
- solubility
- soluble in Toluene
- form
- powder to lump to clear liquid
- color
- White or Colorless to Yellow to Green
- Sensitive
- Moisture Sensitive
- BRN
- 519794 · 519794
- CAS DataBase Reference
- 7073 · 7073-36-1(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Benzoyl chloride, 2-chloro-4-nitro- (7073-36-1)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 290 · H290-H314-H318
- Precautionary statements
- 260 h-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 · 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
- Hazard Codes
- Xi
- Risk Statements
- 34 · 34-41
- Safety Statements
- 26 · 26-36/37/39-45-39
- RIDADR
- 3265 · 3265
- TSCA
- TSCA listed
- HS Code
- 2916.39 · 2916.39.7900
- HazardClass
- 8 · 8
- PackingGroup
- II
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H290 (12.5%): 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 8 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 CategoriesMet. Corr. 1 (12.5%)
Safety data
- tsca
- TSCA listed
- ridadr
- 3265
- hs_code
- 2916.39.7900
- risk_code
- 34-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-36/37/39-45-39
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H290-H314-H318
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- 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
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoyl chloride, 2-chloro-4-nitro-: INACTIVE
Applications
Uses2-Chloro-4-nitro-benzoyl chloride is a reactant in the synthesis of benzoxazole derivatives as interleukin-6 antagonists.
Upstream & downstream products
Downstream products
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Related reactions
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