Basic information
- CAS
2834-23-3- Standard SMILES
O=C(OC(=O)C(F)(F)Cl)C(F)(F)Cl- InChIKey
VBJIFLOSOQGDRZ-UHFFFAOYSA-N- Molecular formula
- C4Cl2F4O3
- Average molar mass
- 242.94 g/mol
- Monoisotopic mass
- 241.9160619
Names & identifiers
- Preferred name
- Acetic acid, 2-chloro-2,2-difluoro-, 1,1'-anhydride
- IUPAC
- (2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate
- English name
- Chlorodifluoroacetic anhydride
- Molecular formula
- C4Cl2F4O3
- Molecular weight
- 242.93
Names & synonyms
Chlorodifluoroacetic anhydrideAcetic acid, chlorodifluoro-, anhydrideEINECS 220-603-4Acetic acid, 2-chloro-2,2-difluoro-, 1,1'-anhydrideDTXSID3062659RefChem:108934DTXCID6037803220-603-4VBJIFLOSOQGDRZ-UHFFFAOYSA-N2834-23-3CHLORODIFLUOROACETICANHYDRIDEMFCD00000774
Show more names
2-chloro-2,2-difluoroacetic anhydrideChlorodifluoroacetic anhyrideDifluorochloroacetic anhydridechlorodifluoro-aceticacianhydrideBis(chlorodifluoroacetic)anhydrideChlorodifluoroacetic anhydride 98%Chlorodifluoroacetic Anhydride >Chlorodifluoroacetic anhydride, 98+%Chlorodifluoroaceticanhydride,min.97%
(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetateChloro(difluoro)acetic anhydrideC4Cl2F4O32-chloro-2,2-difluoroacetyl 2-chloro-2,2-difluoroacetateSCHEMBL317358Chlorodi(fluoro)acetic anhydridechlorodifluoroacetic acid anhydrideChlorodifluoroacetic anhydride, 98%
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 96 · 96-97 °C (lit.)
- Density
- 1.395 g/mL · 1.395 g/mL at 25 °C (lit.)
- refractive index
- 1.347 · 1.347
- Flash point
- None
- storage temp.
- RT, protect from light, stored under nitrogen
- form
- clear liquid
- Specific Gravity
- 1.395 · 1.395
- color
- Colorless to Almost colorless
- Water Solubility
- Slightly Soluble in water. (1.4 g/L) (25°C)
- Sensitive
- Lachrymatory
- BRN
- 1912832 · 1912832
- InChI
- InChI=1S/C4Cl2F4O3/c5-3(7,8)1(11)13-2(12)4(6,9)10
- InChIKey
- VBJIFLOSOQGDRZ-UHFFFAOYSA-N
- SMILES
- O(C(=O)C(F)(F)Cl)C(=O)C(F)(F)Cl
- CAS DataBase Reference
- 2834 · 2834-23-3(CAS DataBase Reference)
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
This chemical does not meet GHS hazard criteria for 1.8% (1 of 56) of reports.
Danger
H301 (85.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Chlorodifluoroacetic anhydride (EC: 220-603-4)
Hazard Classes and CategoriesAcute Tox. 3 (85.7%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3265
- hs_code
- 2915907098
- risk_code
- 23/24/25-34-21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- C
- hazard_note
- Corrosive/Lachrymatory
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-chloro-2,2-difluoro-, 1,1'-anhydride: INACTIVE
Applications
UsesChlorodifluoroacetic anhydride has been used:for dual element acetylation tagging derivatization of amines by using microwave sustained helium emission detectoras derivatization reagent in determination of estrone and 17β-estradiol in hair by GC-MS
General DescriptionPhotolysis of the vapour of chlorodifluoroacetic anhydride has been studied over the range 19-201°C using 248nm radiation.
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
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]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
6 records
Compound notes
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