Basic information
- CAS
35730-09-7- Standard SMILES
O=C(Cl)c1cc(F)ccc1F- InChIKey
RLRUKKDFNWXXRT-UHFFFAOYSA-N- Molecular formula
- C7H3ClF2O
- Average molar mass
- 176.55 g/mol
- Monoisotopic mass
- 175.98404884
Names & identifiers
- Preferred name
- 2,5-Difluorobenzoyl chloride
- IUPAC
- 2,5-difluorobenzoyl chloride
- English name
- 2,5-Difluorobenzoyl chloride
- Molecular formula
- C7H3ClF2O
- Molecular weight
- 176.55
Names & synonyms
2,5-Difluorobenzoyl chloride35730-09-7Benzoyl chloride, 2,5-difluoro-7NDW4XJ5SKEINECS 252-701-8DTXSID10189274RefChem:82848DTXCID40111765252-701-8RLRUKKDFNWXXRT-UHFFFAOYSA-N2,5-difluorobenzoylchlorideMFCD00009929
Show more names
SKL12232,5-DifluorobenzoylChloride>2,5-Difluorobenzoylchloride98%2,5-Difluorobenzoyl chloride 98%2,5-Difluorobenzoic acid chloride2,5-Difluorobenzoyl chloride, 98% 5GR
UNII-7NDW4XJ5SKSCHEMBL3435352,5-difluoro-benzoyl chloride2,5-Difluorobenzoyl chloride, 98%SBB067916AKOS009156908JS-4111DB-005871
Database identifiers
- CAS
35730-09-7- PubChem CID
- 588082
- DTXSID
DTXSID10189274- UNII
- 7NDW4XJ5SK
- EC Number
- 252-701-8
- Nikkaji
- J236.447F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 73 · 73-74 °C
- Boiling point
- 92 · 92-93 °C/34 mmHg (lit.)
- Density
- 1.425 g/mL · 1.425 g/mL at 25 °C (lit.)
- refractive index
- 1.514 · 1.514-1.516
- Flash point
- 59 °C · 59 °C
- storage temp.
- Inert atmosphere,Room Temperature
- form
- clear liquid
- color
- Colorless to Light yellow
- Specific Gravity
- 1.425 · 1.425
- Sensitive
- Moisture Sensitive
- BRN
- 2046666 · 2046666
- InChI
- 1S/C7H3ClF2O/c8-7(11)5-3-4(9)1-2-6(5)10/h1-3H
- InChIKey
- RLRUKKDFNWXXRT-UHFFFAOYSA-N
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
Danger
H226 (89.8%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (89.8%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 3265
- hs_code
- 29163990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 45-36/37/39-25-26
- hazard_class
- 8
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H226-H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Chemistry & industry
Applications
Uses2,5-Difluorobenzoyl chloride has been used in the synthesis of:ethyl 4-(2′,5′-difluorobenzoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (JJ78:1)thiohydrazide
Upstream & downstream products
Downstream products
Suppliers100 total
上海康恩博医药科技有限公司17510465506 · [email protected]
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]
上海莉凯化工技术有限公司16628776521 · [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]
Related reactions
74 records
Compound notes
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