1,1-Diphenylacetone

HCID 69907CAS 781-35-1
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Basic information

Standard SMILES
CC(=O)C(c1ccccc1)c1ccccc1
InChIKey
DBNWBEGCONIRGQ-UHFFFAOYSA-N
Molecular formula
C15H14O
Average molar mass
210.27 g/mol
Monoisotopic mass
210.10446507

Names & identifiers

Preferred name
1,1-Diphenylacetone
IUPAC
1,1-diphenylpropan-2-one
English name
1,1-Diphenylacetone
Molecular formula
C15H14O
Molecular weight
210.27

Names & synonyms

1,1-Diphenylacetone2-Propanone, 1,1-diphenyl-1,1-Diphenyl acetoneEINECS 212-307-9NSC 400472BRN 1910206AI3-110414-07-00-01426 (Beilstein Handbook Reference)DTXSID80611371,1Diphenyl acetone1,1Diphenyl2propanoneRefChem:71124
Show more names
Diphenyl AcetoneNSC400472NSC-4004721-diphenyl-1,1-DiphenylactoneUNSYM-DIPHENYLACETONE1,1-Diphenylacetone 98%
2Propanone, 1,1diphenylDTXCID7048112212-307-9DBNWBEGCONIRGQ-UHFFFAOYSA-N781-35-11,1-diphenylpropan-2-one1,1-Diphenyl-2-propanoneMethyl diphenylmethyl ketone

Database identifiers

CAS
781-35-1
PubChem CID
69907
DTXSID
DTXSID8061137
EC Number
212-307-9
Nikkaji
J151.181E

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
16

Experimental & physicochemical properties

Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
59 · 59-63 °C (lit.)
Boiling point
135 °C · 135 °C (1.5 mmHg)
Density
1.0232 · 1.0232 (rough estimate)
refractive index
1.5361 · 1.5361 (estimate)
storage temp.
2 · 2-8°C
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazards SummaryIntraperitoneal LD50 (mouse) = 500 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Benzophenone.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
rtecs
UC2010020
hs_code
29143990
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Propanone, 1,1-diphenyl-: ACTIVE

Applications

Uses1,1-Diphenylacetone is an intermediate for the anticoagulant rodenticides Diphacinone, sodium Diphacinone, and chlorpromazine, and can also be used as a pharmaceutical intermediate for prostaglandin I2 agonists.

Upstream & downstream products

Suppliers50 total

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]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

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Linked notes

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