Basic information
- CAS
2623-45-2- Standard SMILES
Cc1ccc(C(=O)CCl)c(C)c1- InChIKey
SJMUGKXTDUSEOC-UHFFFAOYSA-N- Molecular formula
- C10H11ClO
- Average molar mass
- 182.64 g/mol
- Monoisotopic mass
- 182.0498427
Names & identifiers
- Preferred name
- Ethanone, 2-chloro-1-(2,4-dimethylphenyl)-
- IUPAC
- 2-chloro-1-(2,4-dimethylphenyl)ethanone
- English name
- Ethanone, 2-chloro-1-(2,4-dimethylphenyl)- (9CI)
- Molecular formula
- C10H11ClO
- Molecular weight
- 182.65
Names & synonyms
2-Chloro-1-(2,4-dimethylphenyl)ethanoneEthanone, 2-chloro-1-(2,4-dimethylphenyl)-NSC 1795NSC 409123DTXSID4062563RefChem:592571DTXCID7037470999-523-32623-45-22-Chloro-2',4'-dimethylacetophenone2-chloro-1-(2,4-dimethylphenyl)ethan-1-oneEthanone,4-dimethylphenyl)-
Show more names
ω-Chloro-2',4'-dimethylacetophenoneα-Chloro-2',4'-dimethylacetophenone2-chloro-1-(2,4-digluorophenyl)ethaone
MFCD00152345Ethanone,2-chloro-1-(2,4-dimethylphenyl)-2,4-dimethylphenacyl chlorideEthanone, 2-chloro-1-(2,4-dimethylphenyl)- (9CI)SCHEMBL8420333NSC1795NSC-1795NSC409123
Database identifiers
- CAS
2623-45-2- PubChem CID
- 75808
- DTXSID
DTXSID4062563- EC Number
- 999-523-3
- Nikkaji
- J134.839F
Properties
Computed structural properties
- XLogP
- 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
- 167
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 62 · 62-63 °C
- Boiling point
- 276 · 276.0±25.0 °C(Predicted)
- Density
- 1.107 · 1.107±0.06 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C10H11ClO/c1-7-3-4-9(8(2)5-7)10(12)6-11/h3-5H,6H2,1-2H3
- InChIKey
- SJMUGKXTDUSEOC-UHFFFAOYSA-N
- SMILES
- ClCC(=O)c1c(cc(cc1)C)C
- EPA Substance Registry System
- 2 · Ethanone, 2-chloro-1-(2,4-dimethylphenyl)- (2623-45-2)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- tsca
- TSCA listed
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 2-chloro-1-(2,4-dimethylphenyl)-: INACTIVE
Suppliers4 total
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海奥德瑞康医药有限公司18902198068 18912886236 · [email protected]
Related reactions
1 records
Compound notes
Loading…