Basic information
- Standard SMILES
O=C(c1ccccc1)C(Cl)c1ccccc1- InChIKey
RXDYOLRABMJTEF-UHFFFAOYSA-N- Molecular formula
- C14H11ClO
- Average molar mass
- 230.69 g/mol
- Monoisotopic mass
- 230.0498427
Names & identifiers
- Preferred name
- Ethanone, 2-chloro-1,2-diphenyl-
- IUPAC
- 2-chloro-1,2-diphenylethanone
- English name
- DESYL CHLORIDE
- Molecular formula
- C14H11ClO
- Molecular weight
- 230.69
Names & synonyms
Show more names
Database identifiers
- CAS
447-31-4- PubChem CID
- 95343
- DTXSID
DTXSID50870538- EC Number
- 207-181-7
- Nikkaji
- J11.380H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 62 · 62-63 °C(lit.)
- Boiling point
- 330 °C · 330°C (rough estimate)
- Density
- 1.1223 · 1.1223 (rough estimate)
- refractive index
- 1.526 · 1.5260 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- form
- powder to crystal
- color
- White to Almost white
- Sensitive
- Moisture Sensitive
- BRN
- 744474 · 744474
- InChI
- InChI=1S/C14H11ClO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H
- InChIKey
- RXDYOLRABMJTEF-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC=CC=C1)C(Cl)C1=CC=CC=C1
- CAS DataBase Reference
- 447 · 447-31-4(CAS DataBase Reference)
- EPA Substance Registry System
- Desyl chloride (447-31-4)
- UNSPSC Code
- 12352115 · 12352115
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 314 · H314-H335
- Precautionary statements
- 260 · P260-P271-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- C
- Risk Statements
- 34 · 34-37
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 6825000 · AM6825000
- TSCA
- TSCA listed
- HS Code
- 2914 · 2914 79 00
- HazardClass
- 8 · 8
- PackingGroup
- III
- Storage Class
- 8 A · 8A - Combustible, corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1BSTOT SE 3
- Limited Quantities
- 1 Kg · 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];H318 (90.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, 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.;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
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AM6825000
- ridadr
- UN 3261 8/PG 2
- hs_code
- 2914 79 00
- risk_code
- 34-37
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible, corrosive hazardous materials
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H314-H335
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1BSTOT SE 3
- Precautionary statements
- P260-P271-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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