CAS 281652-58-2 2-Chloro-5-iodobenzoyl chloride (HCID 4769302)

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Basic information

CAS: 281652-58-2
Standard SMILES: O=C(Cl)c1cc(I)ccc1Cl
InChIKey: CRBYUOHFEZMJTE-UHFFFAOYSA-N
Molecular formula: C7H3Cl2IO
Average molar mass: 300.9 g/mol

Names & identifiers

Preferred name: 2-Chloro-5-iodobenzoyl chloride
IUPAC: 2-chloro-5-iodobenzoyl chloride
English name: 2-Chloro-5-iodo-benzoyl chloride
Molecular formula: C7H3Cl2IO
Molecular weight: 300.91

Names & synonyms

2-chloro-5-iodobenzoyl chloride281652-58-2Benzoyl chloride, 2-chloro-5-iodo-MFCD026283892-chloro-5-iodo-benzoyl ChlorideMF46VVD5RA2-chloro-5-iodobenzoylchlorideSCHEMBL19348795-iodo-2-chlorobenzoyl chlorideCRBYUOHFEZMJTE-UHFFFAOYSA-NAKOS000289072BS-53112

Show more names

SOTA-012Ertugliflozin Impurity 8

SY128704DB-303146F863871

Database identifiers

CAS: 281652-58-2
PubChem CID: 4769302
UNII: MF46VVD5RA

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 163

Physicochemical properties

Boiling point: 309.9 · 309.9±27.0 °C(Predicted)
Density: 2.007 · 2.007±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H317
Precautionary statements: 280 · P280
RIDADR: 3265 · UN3265
HazardClass: 8 · 8
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

Safety data

ridadr: UN3265
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: 8
Hazard statements: H302-H317
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P280