Basic information
- CAS
43076-59-1- Standard SMILES
O=C(CCCCl)c1cccs1- InChIKey
NPFQPHILVMHTKP-UHFFFAOYSA-N- Molecular formula
- C8H9ClOS
- Average molar mass
- 188.67 g/mol
- Monoisotopic mass
- 188.00626359
Names & identifiers
- Preferred name
- 4-Chloro-1-(2-thienyl)butan-1-one
- IUPAC
- 4-chloro-1-thiophen-2-ylbutan-1-one
- English name
- gamma-Chloro-2-butyrothienone
- Molecular formula
- C8H9ClOS
- Molecular weight
- 188.67
Names & synonyms
43076-59-14-Chloro-1-(2-thienyl)butan-1-one4-Chloro-1-(2-thienyl)-1-butanone1-Butanone, 4-chloro-1-(2-thienyl)-EINECS 256-076-2DTXSID10195678RefChem:520736DTXCID50118169256-076-2InChI=1/C8H9ClOS/c9-5-1-3-7(10)8-4-2-6-11-8/h2,4,6H,1,3,5H4-chloro-1-(thiophen-2-yl)butan-1-onegamma-Chloro-2-butyrothienone
Show more names
4-CHLOROBUTYROTHIENONEγ-chloro-2-butyrothienoneG-CHLORO-2-BUTYROTHIENONE2-(4-Chlorobutanoyl)thiophene4-CHLORO-2'-BUTYROTHIENONE 97%4-CHLORO-1-(2-THIENYL)BUTANONE4-Chloro-2'-butyrothienone,97%^y-Chloro-2-butyrothienone, 97%
4-chloro-1-thiophen-2-ylbutan-1-oneMFCD00005447.gamma.-Chloro-2-butyrothienone4-Chloro-2'-butyrothienone3-CHLOROPROPYL 2-THIENYL KETONE4-Chloro-2'-butyrothienone, 97%4-chloro-1-thiophen-2-yl-butan-1-one4-Chlorobutyrothiophene
Database identifiers
- CAS
43076-59-1- PubChem CID
- 123511
- DTXSID
DTXSID10195678- EC Number
- 256-076-2
- Nikkaji
- J267.322C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 144 · 144-146°C 9mm
- Density
- 1.663 g/mL · 1.663 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.565(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 0 · 0-6°C
- Specific Gravity
- 1.163 · 1.163
- BRN
- 508882 · 508882
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers15 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
武汉杂环科技有限公司027-88041443 13072715837 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
career henan chemical co+86-0371-86658258 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
19 records
Compound notes
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