Basic information
- CAS
37777-76-7- Standard SMILES
O=C(O)Cc1c(F)cccc1Cl- InChIKey
GUAIAAXDEJZRBP-UHFFFAOYSA-N- Molecular formula
- C8H6ClFO2
- Average molar mass
- 188.58 g/mol
- Monoisotopic mass
- 188.0040353
Names & identifiers
- Preferred name
- 2-Chloro-6-fluorophenylacetic acid
- IUPAC
- 2-(2-chloro-6-fluorophenyl)acetic acid
- English name
- 2-Chloro-6-fluorophenylacetic acid
- Molecular formula
- C8H6ClFO2
- Molecular weight
- 188.58
Names & synonyms
2-Chloro-6-fluorophenylacetic acid37777-76-72-Chloro-6-fluorobenzeneacetic acidEINECS 253-661-4DTXSID20191222RefChem:469639DTXCID30113713253-661-42-(2-chloro-6-fluorophenyl)acetic acid(2-chloro-6-fluorophenyl)acetic acidMFCD00004319Benzeneacetic acid, 2-chloro-6-fluoro-
Show more names
RARECHEM AL BO 01142-Chloro-6-fluorophenylacetic2-Chloro-6-fluorophenylaceticAcid>2-Chloro-6-fluorophenylaceticacid98%2-Chloro-6-fluoro-benzeneacetic Acid2-Chloro-6-fluorophenylacetic acid 98%2-CHLORO-6-FLUOROPHENYL ACETIC ACID FOR
2-Chloro-6-fluorophenyl acetic acid2-(2-chloro-6-fluoro-phenyl)acetic acidF0850-67752-Chloro-6-fluorophenylaceticacidAV46FT6W9YSCHEMBL1285811SCHEMBL22344456SCHEMBL29570152
Database identifiers
- CAS
37777-76-7- PubChem CID
- 123464
- DTXSID
DTXSID20191222- UNII
- AV46FT6W9Y
- EC Number
- 253-661-4
- Nikkaji
- J208.263B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 120 · 120-123 °C(lit.)
- Boiling point
- 287.3 · 287.3±25.0 °C(Predicted)
- Density
- 1.3379 · 1.3379 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- soluble in Methanol
- form
- Solid
- pka
- 3.77 · 3.77±0.10(Predicted)
- color
- Off-White to Pale Yellow Crystalline
- BRN
- 4401142 · 4401142
- CAS DataBase Reference
- 37777 · 37777-76-7(CAS DataBase Reference)
- FDA UNII
- 46 FT6W9Y · AV46FT6W9Y
- NIST Chemistry Reference
- 2 · 2-Chloro-6-fluorophenylacetic acid(37777-76-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (88.9%): 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 9 reports by companies from 6 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 (88.9%)
Safety data
- wgk
- 3
- hs_code
- 2916 39 90
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-26/37/39-37/39-26
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Chloro-6-fluorophenylacetic Acid (cas# 37777-76-7) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Related reactions
5 records
Compound notes
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