Basic information
- CAS
28788-62-7- Standard SMILES
CCCCc1ccc(C(=O)Cl)cc1- InChIKey
OUOWCSJYDCPVDM-UHFFFAOYSA-N- Molecular formula
- C11H13ClO
- Average molar mass
- 196.67 g/mol
- Monoisotopic mass
- 196.06549272
Names & identifiers
- Preferred name
- 4-Butylbenzoyl chloride
- IUPAC
- 4-butylbenzoyl chloride
- English name
- 4-n-Butylbenzoyl chloride
- Molecular formula
- C11H13ClO
- Molecular weight
- 196.67
Names & synonyms
4-Butylbenzoyl chlorideBenzoyl chloride, 4-butyl-4-n-Butylbenzoyl chloridep-Butylbenzoyl chlorideEINECS 249-224-2DTXSID1067413RefChem:98252DTXCID4037871249-224-2OUOWCSJYDCPVDM-UHFFFAOYSA-N28788-62-7MFCD00000699
Show more names
4-butyl-benzoylchlorid4-butylbenzeneformylchloro4-Butylbenzoyl Chloride >4-Butylbenzoyl chloride,99%4-Butylbenzoic acid chloride
4-n-Butylbenzoylchloride4-N-ButYl-Benzoyl Chloride4-(But-1-yl)benzoyl chloride4-butylbenzoylchloridep-n-butyl benzoylchloridep-n-butylbenzoyl chloride4-1-butylbenzoyl chloride4-n-butyl benzoyl chloride
Database identifiers
- CAS
28788-62-7- PubChem CID
- 120049
- DTXSID
DTXSID1067413- EC Number
- 249-224-2
- Nikkaji
- J32.728J
Properties
Computed structural properties
- XLogP
- 5
- 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
- Boiling point
- 155 · 155-156 °C22 mm Hg(lit.)
- Density
- 1.051 g/mL · 1.051 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5351(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- RT, stored under nitrogen
- form
- clear liquid
- color
- Colorless to Light yellow
- Specific Gravity
- 1.051 · 1.051
- Water Solubility
- Reacts with water.
- Sensitive
- Moisture Sensitive
- InChI
- 1S/C11H13ClO/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3
- InChIKey
- OUOWCSJYDCPVDM-UHFFFAOYSA-N
- SMILES
- CCCCc1ccc(cc1)C(Cl)=O
- CAS DataBase Reference
- 28788 · 28788-62-7(CAS DataBase Reference)
- EPA Substance Registry System
- 4 · Benzoyl chloride, 4-butyl- (28788-62-7)
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29163990
- risk_code
- 34-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoyl chloride, 4-butyl-: INACTIVE
Applications
Uses4-Butylbenzoyl chloride was used in the synthesis of 2,5-bis[(4-butylbenzoyl)oxy]styrene (BBOS, monomer).
Uses4-Butylbenzoyl chloride was used in the synthesis of 2,5-bis[(4-butylbenzoyl)oxy]styrene (BBOS, monomer).
UsesIntermediates of Liquid Crystals
Upstream & downstream products
Downstream products
Suppliers74 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司
Related reactions
47 records
Compound notes
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