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Basic information
- CAS
38425-26-2- Standard SMILES
Cc1ccc(C(=O)CCCCl)cc1- InChIKey
FUHGFUBJUUFMSF-UHFFFAOYSA-N- Molecular formula
- C11H13ClO
- Average molar mass
- 196.67 g/mol
- Monoisotopic mass
- 196.06549272
Names & identifiers
- Preferred name
- 4-Chloro-4'-methylbutyrophenone
- IUPAC
- 4-chloro-1-(4-methylphenyl)butan-1-one
- English name
- 4-Chloro-4'-methylbutyrophenone
- Molecular formula
- C11H13ClO
- Molecular weight
- 196.67
Names & synonyms
4-Chloro-4'-methylbutyrophenoneEINECS 253-924-3DTXSID70191757NSC 163137RefChem:521397DTXCID10114248253-924-338425-26-24-Chloro-1-(p-tolyl)butan-1-one4-chloro-1-(4-methylphenyl)butan-1-oneMFCD000189994-CHLORO-1-(4-METHYLPHENYL)-1-OXOBUTANE
Show more names
TIMTEC-BB SBB005845γ-Chloro-4'-methylbutyrophenoneButyrophenone, 4-chloro-4′-methylGAMMA-CHLORO-P-METHYLBUTYROPHENONE4-Chloro-4'-methylbutyrophenone,95%4-CHLORO-4''-METHYLBUTYROPHENONE 95%
1-Butanone, 4-chloro-1-(4-methylphenyl)-NSC1631374-chloro-1-(4-methylphenyl)-1-butanoneSCHEMBL2237478NSC-163137LGT6F64EMP4'-me4'-methyl-4-chlorobutyrophenone
Database identifiers
- CAS
38425-26-2- PubChem CID
- 98745
- DTXSID
DTXSID70191757- UNII
- LGT6F64EMP
- EC Number
- 253-924-3
- Nikkaji
- J267.291J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 31.5 °C · 31.5 °C
- Boiling point
- 282.19 °C · 282.19°C (rough estimate)
- Density
- 1.0753 · 1.0753 (rough estimate)
- refractive index
- 1.5364 · 1.5364 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Safety Statements
- 24 · 24/25
- HS Code
- 29147000 · 29147000
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- hs_code
- 29147000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers24 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Related reactions
37 records
Compound notes
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