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3,3'-Difluorobenzophenone

HCID 579502
NotesReactions

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
345-70-0
Standard SMILES
O=C(c1cccc(F)c1)c1cccc(F)c1
InChIKey
UBJLBNGSWJBOGI-UHFFFAOYSA-N
Molecular formula
C13H8F2O
Average molar mass
218.2 g/mol
Monoisotopic mass
218.0543212

Names & identifiers

Preferred name
3,3'-Difluorobenzophenone
IUPAC
bis(3-fluorophenyl)methanone
English name
3,3'-Difluorobenzophenone
Molecular formula
C13H8F2O
Molecular weight
218.2

Names & synonyms

3,3'-Difluorobenzophenone345-70-0DTXSID10342185RefChem:90683DTXCID70293265624-197-3UBJLBNGSWJBOGI-UHFFFAOYSA-NBis(3-fluorophenyl)methanoneMFCD00000337Methanone, bis(3-fluorophenyl)-3,3'-difluoro-benzophenoneSCHEMBL1258944
Show more names
3,3'-Difluorobenzophenone99%3,3'-Difluorobenzophenone 99%3,3′-Difluorobenzophenone, CAS 345-70-0
Bis(3-fluorophenyl)methanone #3,3'-Difluorobenzophenone, 99%CL8647SBB095559AKOS009157039CS-W014800AS-46064SY128072

Database identifiers

CAS
345-70-0
PubChem CID
579502
DTXSID
DTXSID10342185
EC Number
624-197-3
Nikkaji
J309.036A

Properties

Computed structural propertiesFilling in

XLogP
3.5
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
230

Physicochemical properties

Melting point
59 · 59-61 °C (lit.)
Boiling point
316 ℃ · 316℃
Density
1.239 · 1.239
Flash point
121 ℃ · 121℃
storage temp.
2 · Storage temp. 2-8°C
form
powder
color
White
BRN
1959286 · 1959286
InChI
InChI=1S/C13H8F2O/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H
InChIKey
UBJLBNGSWJBOGI-UHFFFAOYSA-N
SMILES
C(C1=CC=CC(F)=C1)(C1=CC=CC(F)=C1)=O
CAS DataBase Reference
345 · 345-70-0(CAS DataBase Reference)
UNSPSC Code
12352100 · 12352100
NACRES
22 · NA.22
Symbol(GHS)
7 · GHS07
Signal word
Warning

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 · 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)

Aggregated GHS information provided per 45 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
2914390090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-37/39
hazard_class
IRRITANT

Chemistry & industry

Applications

Uses3,3′-Difluorobenzophenone may be used in chemical synthesis.

Suppliers79 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [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]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]

Related reactions

6 records
New reaction record
HRID 25189 reaction equation
HRID 25189As reactantuspto-grants-2005_02
HRID 125706 reaction equation
HRID 125706As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 685941 reaction equation
HRID 685941As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1058795 reaction equation
HRID 1058795As reactantuspto-grants-2003_02
HRID 2232733 reaction equation
HRID 2232733As reactantuspto-grants-1988_11
HRID 2348448 reaction equation
HRID 2348448As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs
Respiratory system
PPE
95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-37/39
WGK Germany
3 · 3
HazardClass
IRRITANT
HS Code
2914390090 · 2914390090
Storage Class
11 · 11 - Combustible Solids
Hazard Classifications
2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Storage Class
11 - Combustible Solids
target organs
Respiratory system
Hazard statements
H315-H319-H335
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements
P261-P264-P271-P280-P302+P352-P305+P351+P338
安耐吉化学&3A(安徽泽升科技股份有限公司)
400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
晟斯化工科技(上海)有限公司+86 13590492756 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
湖南华腾制药有限公司400-8592883 15367835770 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
北京建强伟业科技有限公司(FUSION弗珍试剂品牌)0531-88924771 15614660963 · [email protected]
上海珈得尔化学技术有限公司13564435016 13564435016 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
山东崇成能源科技有限公司18253333366 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
上海源叶生物科技有限公司18916372613 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
武汉易谊化学科技有限公司0711-3617768 13308685235 · [email protected]
山东小野化学股份有限公司0539-6362799 20)