Basic information
- CAS
15873-40-2- Standard SMILES
Cc1ccccc1/C=C/C(=O)Cl- InChIKey
ISMYAVWQKWXKOM-VOTSOKGWSA-N- Molecular formula
- C10H9ClO
- Average molar mass
- 180.63 g/mol
- Monoisotopic mass
- 180.03419259
Names & identifiers
- Preferred name
- (e)-3-o-Tolylacryloyl chloride
- IUPAC
- (E)-3-(2-methylphenyl)prop-2-enoyl chloride
- English name
- (2E)-3-(2-Methylphenyl)acryloyl chloride
- Molecular formula
- C10H9ClO
- Molecular weight
- 180.63
Names & synonyms
83612-52-6(e)-3-o-tolylacryloyl chlorideDTXSID40420708RefChem:210440DTXCID90371554(2E)-3-(2-METHYLPHENYL)ACRYLOYL CHLORIDE(2E)-3-(2-methylphenyl)prop-2-enoyl chloride(E)-3-(2-methylphenyl)prop-2-enoyl chloride15873-40-2(E)-3-o-Tolyl-acryloyl chlorideMFCD034247362-propenoyl chloride, 3-(2-methylphenyl)-, (2E)-
Show more names
3-(2-methylphenyl)acryloyl chloride(E)-3-(2-methylphenyl)acryloyl chloride3-(2-methylphenyl)prop-2-enoyl chloride
(E)-3-(o-Tolyl)acryloyl chloride(E)-3-(o-tolyl)prop-2-enoyl chloride3-o-tolyl-acryloyl chloride3-(o-Tolyl)acryloylchloride3-(o-Tolyl)acryloyl chlorideSCHEMBL6421785(E)-2-methylcinnamoyl chlorideISMYAVWQKWXKOM-VOTSOKGWSA-N
Database identifiers
- CAS
15873-40-2、83612-52-6- PubChem CID
- 5706558
- DTXSID
DTXSID40420708- EC Number
- 673-215-6
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 186
Physicochemical properties
- Boiling point
- 271.3 · 271.3±9.0 °C(Predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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