Basic information
- Standard SMILES
O=C(Cl)Cc1ccccc1- InChIKey
VMZCDNSFRSVYKQ-UHFFFAOYSA-N- Molecular formula
- C8H7ClO
- Average molar mass
- 154.59 g/mol
- Monoisotopic mass
- 154.01854252
Overview
Phenylacetyl chloride appears as a colorless volatile liquid with a strong odor. Denser than water. Contact may severely irritate skin, eyes and mucous membranes. May be toxic by ingestion. May also be combustible.
Names & identifiers
- Preferred name
- Phenylacetyl chloride
- IUPAC
- 2-phenylacetyl chloride
- English name
- Phenylacetyl chloride
- Molecular formula
- C8H7ClO
- Molecular weight
- 154.59
Names & synonyms
PHENYLACETYL CHLORIDEBenzeneacetyl chloride2-phenylacetyl chloridePhenacetyl chloridePhenylacetic acid chlorideAcetyl chloride, phenyl-UN2577PHENYLACETIC CHLORIDEEINECS 203-146-5UNII-T30899DRND.alpha.-Phenylacetyl chlorideCCRIS 8623
Show more names
phenylacetyl-Toluylchloride-ToluylchlorideA-TOLUYL CHLORIDEAKOS BBS-00003909ylacetyl chloridePhenyl acetyl chlori
T30899DRNDAI3-23871DTXSID6059281UN 2577UN-2577alpha-Phenylacetyl chloride2Phenylacetyl chlorideCloruro de fenilacetilo
Database identifiers
- CAS
103-80-0- PubChem CID
- 7679
- DTXSID
DTXSID6059281- UNII
- T30899DRND
- EC Number
- 203-146-5
- Nikkaji
- J5.021K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Corrosives
SpringerMaterials PropertiesBoiling point
Physical Description
Phenylacetyl chloride appears as a colorless volatile liquid with a strong odor. Denser than water. Contact may severely irritate skin, eyes and mucous membranes. May be toxic by ingestion. May also be combustible.
Colorless liquid with a strong odor; [CAMEO] Clear light yellow liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 264 · 264-266 °C(Solv: N,N-dimethylformamide (68-12-2))
- Boiling point
- 94 · 94-95 °C/12 mmHg (lit.)
- Density
- 1.169 g/mL · 1.169 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5325(lit.)
- Flash point
- 217 °F · 217 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Miscible with alcohol and ether.
- form
- clear liquid
- color
- Colorless to Light yellow
- Sensitive
- Moisture Sensitive
- BRN
- 742254 · 742254
- Stability
- Stable. Reacts with water. Incompatible with amines, most common metals, moisture, strong oxidizing agents.
- InChI
- 1S/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2
- InChIKey
- VMZCDNSFRSVYKQ-UHFFFAOYSA-N
- SMILES
- ClC(=O)Cc1ccccc1
- LogP
- 1.628 · 1.628 (est)
- CAS DataBase Reference
- 103 · 103-80-0(CAS DataBase Reference)
- FDA UNII
- 30899 DRND · T30899DRND
- NIST Chemistry Reference
- Benzeneacetyl chloride(103-80-0)
- EPA Substance Registry System
- Benzeneacetyl chloride (103-80-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H290
- Precautionary statements
- 501 · P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
- target organs
- Respiratory system
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34-37-14
- Safety Statements
- 26 · 26-36/37/39-45-25-27
- RIDADR
- 2577 · UN 2577
- WGK Germany
- 3 · 3
- F
- 21 · 21
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29163900 · 29163900
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Met · Eye Dam. 1Met. Corr. 1Skin Corr. 1BSTOT SE 3
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 65 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzeneacetyl chloride
Status: Active Update: 05-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/20430
Phenylacetyl chloride: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Other Safety InformationIMAP assessments - Benzeneacetyl chloride: Human health tier I assessment
DOT LabelCorrosive
Fire Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Hazards Summary
Fumes in air; Decomposed by water evolving hydrogen chloride gas; May cause severe skin, eye, and mucous membrane irritation; [CAMEO] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Acetyl chloride.
DOT ID and Guide2577 156
Reactive GroupAcyl Halides, Sulfonyl Halides, and Chloroformates
Reactivity AlertsWater-Reactive
Reactivity Profile
PHENYLACETYL CHLORIDE is incompatible with strong oxidizing agents, alcohols, bases (including amines). May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
DOT Hazard Classification
Phenylacetyl chloride
UN2577
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsSoluble in water. Fumes in air. Decomposes in water or steam to form very corrosive hydrogen chloride gas.
Safety & protection
Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Isolation and Evacuation
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Emergency Response Planning Guidelines· Note: Most foams will react with the material and release corrosive/toxic gases.
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 21
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2577
- hs_code
- 29163900
- risk_code
- 34-37-14
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45-25-27
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H314-H290
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Eye Dam. 1Met. Corr. 1Skin Corr. 1BSTOT SE 3
- Precautionary statements
- P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Chemistry & industry
Uses & manufacturing
UsesUsed in laboratories and to make esters for flavorings; [REPROTOX]
General Manufacturing InformationBenzeneacetyl chloride: ACTIVE
Applications
UsesPhenylacetyl chloride is used in the preparation of 1,2-diphenyl-ethanone by reaction with iodobenzene using tetrabutylammonium tetrafluoroborate as a phase transfer catalyst. It is widely used in the chemical industry for manufacturing dyes and pharmaceutical products. It plays an important role in the preparation of penicillin. Further, it is used to prepare esters for flavorings.
UsesPhenylacetyl chloride is used as a key precursor in the total synthesis of vialinin B. It is employed as a linker to prepare dendrimers and also used in the synthesis of various conjugated aromatic small molecules.
General DescriptionA colorless volatile liquid with a strong odor. Denser than water. Contact may severely irritate skin, eyes and mucous membranes. May be toxic by ingestion. May also be combustible.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北蝶化新材料科技有限公司86-18372897-544 18995560451
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]
Changzhou Carman Chemical Co., Ltd.15061933924
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
青岛瑞檀化工有限公司010 15670599305 · [email protected]
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T&W GROUP021-61551611 13296011611 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
山东前元高分子材料有限公司18678041314 18765609661 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
河北秒变生物科技有限公司17733850068
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
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四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
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Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
Syntor Fine Chemicals Ltd.+44 (0) 1928 579865 · [email protected]
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上海贤鼎生物科技有限公司4009209199 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
日照力德士化工有限公司010-51268198 · [email protected]
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济南琳盛化工有限公司18769772272 · [email protected]
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