4-Chlorophenylacetyl chloride
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Basic information
- CAS
25026-34-0- Standard SMILES
O=C(Cl)Cc1ccc(Cl)cc1- InChIKey
UMQUIRYNOVNYPA-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2O
- Average molar mass
- 189.04 g/mol
- Monoisotopic mass
- 187.97957017
Names & identifiers
- Preferred name
- 4-Chlorophenylacetyl chloride
- IUPAC
- 2-(4-chlorophenyl)acetyl chloride
- English name
- 4-Chlorobenzeneacetyl chloride
- Molecular formula
- C8H6Cl2O
- Molecular weight
- 189.04
Names & synonyms
4-Chlorophenylacetyl chloride25026-34-04-Chlorobenzeneacetyl chlorideEINECS 246-571-1DTXSID10179736RefChem:522047DTXCID70102227246-571-12-(4-chlorophenyl)acetyl chloridep-Chlorophenylacetyl chlorideMFCD00037111Benzeneacetyl chloride, 4-chloro-
Show more names
SKL1311TIMTEC-BB SBB0058594-chlorophenyl chloride4-chlorophenylacethyl chlorideparachlorobenzenethylacylchloro4-Chlorophenylacetyl chloride 97%
(4-chlorophenyl)acetyl chloride4-chlorophenylacetic acid chloride4-Chlorophenylacetylchloride4-chlorobenzenacetyl chlorideSCHEMBL76050p-chlorophenyl-acetyl chloride(4-chlorophenyl)acetylchloride4-chloro-phenylacetyl chloride
Database identifiers
- CAS
25026-34-0- PubChem CID
- 90692
- DTXSID
DTXSID10179736- EC Number
- 246-571-1
- Nikkaji
- J236.033K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- 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
- 139
Physicochemical properties
- alpha
- -56.7 · -56.7 º
- Boiling point
- 85 °C1 · 85 °C1 mm Hg(lit.)
- Density
- 1.292 g/mL · 1.292 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5510(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- Liquid
- color
- Clear yellow to brown
- Sensitive
- Moisture Sensitive
- BRN
- 637775 · 637775
- InChI
- 1S/C8H6Cl2O/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2
- InChIKey
- UMQUIRYNOVNYPA-UHFFFAOYSA-N
- SMILES
- ClC(=O)Cc1ccc(Cl)cc1
- CAS DataBase Reference
- 25026 · 25026-34-0(CAS DataBase Reference)
- NIST Chemistry Reference
- p-Chlorophenylacetyl chloride(25026-34-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 290 · H290-H318-H302-H314-H317
- Precautionary statements
- 234 · P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501-P280-P305+P351+P338-P310-P260h-P301+P330+P331-P303+P361+P353-P501a
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 22 · 22-34-43
- Safety Statements
- 26 · 26-36/37/39-45-24/25
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29163990 · 29163990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Corr. 1BSkin Sens. 1
- 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
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
H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.9%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29163990
- risk_code
- 22-34-43
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45-24/25
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H290-H318-H302-H314-H317
- 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)
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Corr. 1BSkin Sens. 1
- Precautionary statements
- P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501-P280-P305+P351+P338-P310-P260h-P301+P330+P331-P303+P361+P353-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
157 records
Compound notes
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