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Benzophenone, 2-chloro-5-(trifluoromethyl)-

HCID 2736679
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
789-96-8
Standard SMILES
O=C(c1ccccc1)c1cc(C(F)(F)F)ccc1Cl
InChIKey
QHDJJBSLUFDASY-UHFFFAOYSA-N
Molecular formula
C14H8ClF3O
Average molar mass
284.66 g/mol
Monoisotopic mass
284.0215771

Names & identifiers

Preferred name
Benzophenone, 2-chloro-5-(trifluoromethyl)-
IUPAC
[2-chloro-5-(trifluoromethyl)phenyl]-phenylmethanone
English name
2-Chloro-5-(trifluoromethyl)benzophenone
Molecular formula
C14H8ClF3O
Molecular weight
284.66

Names & synonyms

789-96-82-Chloro-5-(trifluoromethyl)benzophenoneBenzophenone, 2-chloro-5-(trifluoromethyl)-DTXSID20229372RefChem:328124DTXCID40151863(2-Chloro-5-(trifluoromethyl)phenyl)(phenyl)methanone[2-chloro-5-(trifluoromethyl)phenyl](phenyl)methanone[2-chloro-5-(trifluoromethyl)phenyl]-phenylmethanoneMethanone,[2-chloro-5-(trifluoromethyl)phenyl]phenyl-MFCD00039229[2-Chloro-5-(trifluoromethyl)phenyl]-phenyl-methanone
Show more names
2-Chloro-5-(trifluoromethyl)benzophenone97%2-Chloro-5-(trifluoromethyl)benzophenone 97%2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL PHENYLMETHANONE
Methanone, [2-chloro-5-(trifluoromethyl)phenyl]phenyl-SCHEMBL27353325QHDJJBSLUFDASY-UHFFFAOYSA-NALBB-023495AKOS003389754FS-62342-chloro-5(trifluoromethyl)benzophenoneST107265

Database identifiers

CAS
789-96-8
PubChem CID

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
323

Physicochemical properties

Melting point
39 · 39-40 °C(Solv: hexane (110-54-3))
Boiling point
343.4 · 343.4±42.0 °C(Predicted)
Density
1.336 · 1.336±0.06 g/cm3(Predicted)
CAS DataBase Reference
789 · 789-96-8(CAS DataBase Reference)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
335 · H335-H315-H319
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes
Xi,Xn
Risk Statements
36 · 36/37/38-36-22
Safety Statements
26 · 26-36
HazardClass
IRRITANT

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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

risk_code
36/37/38-36-22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,Xn
safety_code
26-36
hazard_class
IRRITANT
Hazard statements
H335-H315-H319
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Suppliers12 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
2736679
DTXSID
DTXSID20229372
EC Number
670-846-9
Nikkaji
J309.047G