Basic information
- CAS
38377-38-7- Standard SMILES
O=C(Cl)Oc1ccc(F)cc1- InChIKey
MSBGPEACXKBQSX-UHFFFAOYSA-N- Molecular formula
- C7H4ClFO2
- Average molar mass
- 174.55 g/mol
- Monoisotopic mass
- 173.98838527
Names & identifiers
- Preferred name
- 4-Fluorophenyl chloroformate
- IUPAC
- (4-fluorophenyl) carbonochloridate
- English name
- 4-FLUOROPHENYL CHLOROFORMATE
- Molecular formula
- C7H4ClFO2
- Molecular weight
- 174.56
Names & synonyms
4-Fluorophenyl chloroformate38377-38-7DTXSID50369811RefChem:99042DTXCID10320847609-545-44-Fluorophenyl carbonochloridate4-Fluorophenylchloroformate(4-fluorophenyl) carbonochloridateMFCD000132574-fluorophenyl chlorocarbonateSCHEMBL696908
Show more names
4-Fluorophenylchloroformstep-Fluorophenyl chloroformate4-Fluorophenylchloroformate97%4-Fluorophenyl chloroformate 97%4-Fluorophenyl chloroformate,98%Carbonochloridic acid, 4-fluorophenyl ester
4-(fluoro)phenyl chloroformateBISMUTH(III)OXIDEDTXSID503698MSBGPEACXKBQSX-UHFFFAOYSA-N4-Fluorophenyl chloroformate, 98%SBB088958AKOS015916425FF78852
Database identifiers
- CAS
38377-38-7- PubChem CID
- 2733256
- DTXSID
DTXSID50369811- EC Number
- 609-545-4
- Nikkaji
- J654.197F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 190.2 · 190.2±23.0 °C(Predicted)
- Density
- 1.329 g/mL · 1.329 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.4933(lit.)
- Flash point
- 169 °F · 169 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Sparingly), DMSO (Sparingly)
- form
- Liquid
- color
- Clear slightly yellow
- Stability
- Moisture sensitive
- InChI
- 1S/C7H4ClFO2/c8-7(10)11-6-3-1-5(9)2-4-6/h1-4H
- InChIKey
- MSBGPEACXKBQSX-UHFFFAOYSA-N
- SMILES
- Fc1ccc(OC(Cl)=O)cc1
- CAS DataBase Reference
- 38377 · 38377-38-7
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS06
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3277 6.1/PG 2
- hs_code
- 29159000
- risk_code
- 23/24/25-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T,C
- hazard_note
- Highly Toxic/Corrosive
- safety_code
- 26-27-36/37/39-45
- hazard_class
- 6.1(a)
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- Hazard statements
- H301-H311-H314-H331
Chemistry & industry
Applications
Uses4-Fluorophenyl chloroformate is a building block compound and has been used in BINOL-derived silanediols and hybrid selenocarbamates synthesis.
Uses4-Fluorophenyl chloroformate may be used in chemical synthesis.
Suppliers62 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
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]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
Related reactions
43 records
Compound notes
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