Benzoyl chloride is an acyl chloride consisting of benzene in which a hydrogen is replaced by an acyl chloride group.
Definition
Benzoyl chloride is an acyl chloride consisting of benzene in which a hydrogen is replaced by an acyl chloride group. It is an important chemical intermediate for the manufacture of other chemicals, dyes, perfumes, herbicides and pharmaceuticals. It has a role as a carcinogenic agent. It is a member of benzenes and an acyl chloride. It is functionally related to a benzoic acid.
Source: PubChem
US FDA substance register · UNII VTY8706W36 · registered name Benzoyl Chloride · single chemical substance
Cosmetic roles
Safety & regulatory references
Korea’s toxic-substance GHS classification: Danger · H314 (category 1) · H331 (category 3) · H302 (category 4) · +1 more
Other restriction: ban substances that deplete the ozone layer
Source: EU CosIng ingredient list
More data — names, identifiers, properties, test records, literature
Names & identifiers
- CAS No.chemical registry number
- 98-88-4
- EC No.EU chemical inventory number
- 202-710-8
- DTXSIDUS EPA chemical ID
- DTXSID9026631
- DTXCIDUS EPA compound ID
- DTXCID106631
- IUPAC
- Benzoyl chloride
- Molecular formula
- C7H5ClO
- Molecular weight
- 140.57 g/mol
Measured properties
- Appearance
- liquid
- Colour
- colourless
- pH
- 2 (1 g/ℓ, 20℃)
- Melting/freezing point
- -1 ℃
- Initial boiling point and range
- 197.2 ℃(760 ㎜Hg)
- Flash point
- 72 ℃
- Flammability (solid, gas)
- not flammable
- Upper/lower flammability or explosive limits
- 27 / 2.5 %
- Vapour pressure
- 0.084 ㎪ (25℃)
- Water solubility
- 10500 ㎎/ℓ (25℃)
- Vapour density
- 1.22 g/㎤ (20℃)
- Relative density
- 1.21
- n-Octanol/water partition coefficient (Kow)
- 1.44 (log Pow, 21℃)
- Auto-ignition temperature
- 600 ℃ (1 atm)
- Molecular weight
- 140.567
Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.
Source: KOSHA safety data sheets (Korea)
What products actually use it for
What the 5 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.
- Processing aids not otherwise specified1
- Polymerization promoter1
- Insulators1
- Softener and conditioner1
- Intermediate1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
10 skin studies and 2 eye studies are on record.
The studies disagree (the most common conclusion covers 50%), so they do not establish that this ingredient is irritating. These tests are on the raw material itself; irritation at the amount in a finished product is a different question.
See all 12 studies
- Category 1A-1C
Skin Irritation · Screening - Classification not possible
Skin Sensitization · Screening - High Frequency of Sensitization
skin sensitisation: in vivo (non-LLNA) · Screening · according to OECD Guideline 406 (Skin Sensitisation) - Skin Corr. 1B
Skin Irritation · Authoritative - Skin Sens. 1
Skin Sensitization · Authoritative - Skin corrosion - category 1B
Skin Irritation · Screening - Skin sensitisation - category 1
Skin Sensitization · Screening - Moderate or Mild Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) equivalent or similar to - Category 6.5B (Category 1)
Skin Sensitization · Read Across - Category 8.2B (Category 1B)
Skin Irritation · Read Across - Category 1
Eye Irritation · Screening - Category 8.3A (Category 1)
Eye Irritation · Read Across
Source: US EPA CompTox dashboard
Related literature
- Design, Synthesis and Characterization of Novel Sulfonamides Derivatives as Anticancer Agent Targeting EGFR TK, and Development of New Methods of Synthesis by Microwave Irradiation · 2021
- Synthesis and Test of C-Phenylcolics [4] Resorcinilate Octabenzoat Sunblock Activity · 2019
- Synthesis of N-(phenylcarbamothioyl)-benzamide derivatives and their cytotoxic activity against MCF-7 cells · 2018
- Synthesis of N-(phenylcarbamothioyl)-benzamide derivatives and their cytotoxic activity against MCF-7 cells · 2018
- [Carcinogenicity in mice by inhalation of benzotrichloride and benzoyl chloride]. · 1986
Linked databases 19
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- IARC carcinogen classification
- Korea Cosmetic Association ingredient dictionary
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- MFDS (Korea) cosmetic ingredient register 2
- NIST Chemistry WebBook
- PubChem
- Tlooto literature search 2 3 4 5
- UniChem cross-reference IDs
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata
- Wikipedia · Korean · English · Japanese · Chinese