trans-2-Phenyl-1-cyclopropanecarbonyl chloride
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Basic information
- CAS
939-87-7- 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 chloride(1R,2R)-2-phenylcyclopropanecarbonyl chloridetrans-2-Phenylcyclopropane-1-carboxylic acid chloride37107-48-5CYCLOPROPANECARBONYL CHLORIDE, 2-PHENYL-, (E)-
Show more names
(e)-cyclopropanecarbonylchloridTRANS-2-PHENYL-1-CYCLOPROPANECARBONY2-Phenylcyclopropanecarbonyl chloride(1S,2R)-2-phenylcyclopropanecarbonyl chloride(1R,2R)-2-phenyl-1-cyclopropanecarbonyl chloride
Cyclopropanecarbonyl chloride, 2-phenyl-, trans-2-Phenylcyclopropanecarbonyl chloride #2-Phenylcyclopropanecarbonyl chloride, trans-Cyclopropanecarbonyl chloride, 2-phenyl-, (1R,2R)-rel-SCHEMBL452300WLN: L3TJ AVG BR -ENSC80667Cyclopropanecarbonyl chloride, (E)-
Database identifiers
- CAS
939-87-7- PubChem CID
- 13656
- DTXSID
DTXSID001246007- EC Number
- 213-365-8
- Nikkaji
- J232.202A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
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.
Related reactions
64 records
Compound notes
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