trans-2-Phenyl-1-cyclopropanecarbonyl chloride

HCID 13656CAS 939-87-7

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Basic information

Standard SMILES: O=C(Cl)[C@@H]1C[C@H]1c1ccccc1
InChIKey: SODZBMGDYKEZJG-DTWKUNHWSA-N
Molecular formula: C10H9ClO
Average molar mass: 180.63 g/mol
Monoisotopic mass: 180.0341926

Names & identifiers

Preferred name: trans-2-Phenyl-1-cyclopropanecarbonyl chloride
IUPAC: trans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride
English name: TRANS-2-PHENYL-1-CYCLOPROPANECARBONYL CHLORIDE
Molecular formula: C10H9ClO
Molecular weight: 180.63

Names & synonyms

939-87-7trans-2-Phenylcyclopropanecarbonyl chloridetrans-2-Phenyl-1-cyclopropanecarbonyl chlorideDTXSID001246007RefChem:898769DTXCID401676858213-365-8(1R,2R)-2-phenylcyclopropane-1-carbonyl chloridetrans-2-Phenylcyclopropane-1-carboxylic acid chlorideCYCLOPROPANECARBONYL CHLORIDE, 2-PHENYL-, (E)-(1R,2R)-2-phenylcyclopropanecarbonyl chlorideMFCD00001278

Show more names

(e)-cyclopropanecarbonylchloridTRANS-2-PHENYL-1-CYCLOPROPANECARBONY2-Phenylcyclopropanecarbonyl chloride(1S,2R)-2-phenylcyclopropanecarbonyl chloride(1R,2R)-2-phenyl-1-cyclopropanecarbonyl chloride

37107-48-5Cyclopropanecarbonyl chloride, 2-phenyl-, trans-EINECS 213-365-8NSC 806672-Phenylcyclopropanecarbonyl chloride #2-Phenylcyclopropanecarbonyl chloride, trans-Cyclopropanecarbonyl chloride, 2-phenyl-, (1R,2R)-rel-SCHEMBL452300

Database identifiers

CAS: 939-87-7
PubChem CID: 13656
DTXSID: DTXSID001246007
EC Number: 213-365-8
Nikkaji: J232.202A

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 184

Physicochemical properties

Boiling point: 108 · 108-110 °C2 mm Hg(lit.)
Density: 1.163 g/mL · 1.163 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.556(lit.)
Flash point: 230 °F · >230 °F
form: liquid
InChI: 1S/C10H9ClO/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9+/m0/s1
InChIKey: SODZBMGDYKEZJG-DTWKUNHWSA-N
SMILES: ClC(=O)[C@@H]1C[C@H]1c2ccccc2
EWG's Food Scores: 1 · 1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
RTECS: 900000 · GZ0900000
HazardClass: 8 · 8
PackingGroup: III
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B

Safety & regulation

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: GZ0900000
ridadr: UN 3265 8/PG 2
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Applications

Usestrans-2-Phenyl-1-cyclopropanecarbonyl chloride was used in the synthesis of series of trans-1-[(2-phenylcyclopropyl)methyl]-4-arylpiperazines.