Basic information
- Standard SMILES
Cc1ccc(CC(=O)Cl)cc1- InChIKey
QDZAWVLWIMOXJT-UHFFFAOYSA-N- Molecular formula
- C9H9ClO
- Average molar mass
- 168.62 g/mol
- Monoisotopic mass
- 168.0341926
Names & identifiers
- Preferred name
- 2-(4-Methylphenyl)acetyl chloride
- IUPAC
- 2-(4-methylphenyl)acetyl chloride
- English name
- P-TOLYL-ACETYL CHLORIDE
- Molecular formula
- C9H9ClO
- Molecular weight
- 168.62
Names & synonyms
Show more names
Database identifiers
- CAS
35675-44-6- PubChem CID
- 2760634
- DTXSID
DTXSID90375274- EC Number
- 673-227-1
- Nikkaji
- J1.181.608H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 115 ℃/7.5mm · 115℃/7.5mm
- form
- Liquid
- color
- Pink
- Sensitive
- Moisture Sensitive
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- RIDADR
- 3265 · UN3265
- HazardClass
- 8 · 8
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H290 (16.7%): May be corrosive to metals [Warning Corrosive to Metals];H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (83.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- ridadr
- UN3265
- risk_code
- 22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xn
- hazard_class
- 8
- Hazard statements
- H314-H318
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesP-tolyl-acetyl chloride is an organic synthesis intermediate, mainly used in the field of pharmaceutical research and development.
Upstream & downstream products
Upstream raw materials
Suppliers16 total
Related reactions
Linked notes
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