3-Phenylprop-2-enoyl chloride
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Basic information
- CAS
102-92-1- Standard SMILES
O=C(Cl)C=Cc1ccccc1- InChIKey
WOGITNXCNOTRLK-UHFFFAOYSA-N- Molecular formula
- C9H7ClO
- Average molar mass
- 166.6 g/mol
- Monoisotopic mass
- 166.0185425
Names & identifiers
- Preferred name
- 3-Phenylprop-2-enoyl chloride
- IUPAC
- 3-phenylprop-2-enoyl chloride
- English name
- Cinnamoyl chloride
- Molecular formula
- C9H7ClO
- Molecular weight
- 166.6
Names & synonyms
3-phenylprop-2-enoyl chloridephenylacryloylchloridestyrene-carbonyl chlorideStyrene Carbonyl Chloride3-phenyl-acryloyl chloride3-Phenyl-2-propenoylchloridSCHEMBL37936SCHEMBL8916912SCHEMBL8916915WOGITNXCNOTRLK-UHFFFAOYSA-NAKOS022259561DB-014735
Show more names
CinnamoylCinnamic chlorideCINNAMIC ACID CHLORIDETRANS-CINNAMOYL CHLORIDE3-PHENYL-2-PROPENOYL CHLORIDE(E)-3-phenylprop-2-enoyl chloride(2E)-3-phenylprop-2-enoyl chlorideCiamoyl chlorideCinmoyl chlorideAKOS BBS-00003908
F979994
Database identifiers
- CAS
102-92-1- PubChem CID
- 66023
- DTXSID
DTXSID3059264
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 35 · 35-37 °C (lit.)
- Boiling point
- 256 · 256-258 °C (lit.)
- Density
- 445.3 · d445.3 1.1617
- refractive index
- 42.5 · nD42.5 1.614
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- 0.1 g/mL, · dioxane: 0.1 g/mL, clear
- form
- Crystalline Solid
- color
- White to yellow
- Water Solubility
- DECOMPOSES
- Merck
- 13 · 13,2323
- BRN
- 606265 · 606265
- InChI
- 1S/C9H7ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
- InChIKey
- WOGITNXCNOTRLK-VOTSOKGWSA-N
- SMILES
- ClC(=O)\C=C\c1ccccc1
- CAS DataBase Reference
- 102 · 102-92-1(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29163990
- risk_code
- 34-29-20-14
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45-25-30-23-8
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Applications
UsesTitrimetric determination of small amounts of water.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
289 records
Compound notes
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