CAS 3907-15-1 3-Fluoro-4-methoxybenzoyl chloride (HCID 2779255)

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Basic information

CAS: 3907-15-1
Standard SMILES: COc1ccc(C(=O)Cl)cc1F
InChIKey: LOSBAHQDKBWMBY-UHFFFAOYSA-N
Molecular formula: C8H6ClFO2
Average molar mass: 188.58 g/mol
Monoisotopic mass: 188.00403533

Names & identifiers

Preferred name: 3-Fluoro-4-methoxybenzoyl chloride
IUPAC: 3-fluoro-4-methoxybenzoyl chloride
English name: 3-Fluoro-4-methoxybenzoyl chloride
Molecular formula: C8H6ClFO2
Molecular weight: 188.58

Names & synonyms

3-Fluoro-4-methoxybenzoyl chloride3907-15-1DTXSID50381351RefChem:279426DTXCID80332376638-964-53-fluoro-4-methoxybenzoylchlorideMFCD034285893-Fluoro-4-methoxy-benzoyl chlorideSCHEMBL3113613-fluoro-4-methoxy benzoyl chloride4-(Chlorocarbonyl)-2-fluoroanisole

Show more names

SKL12633-fluoro-4-methoxylbenzoyl chorideBenzoyl chloride, 3-fluoro-4-methoxy-4-(Chlorocarbonyl)-2-fluoroanisole, 4-(Chloroformyl)-2-fluoroanisole

SBB067908AKOS000346356AC-3845AS-15017SY227843DB-049368F013057F0001-1103

Database identifiers

CAS: 3907-15-1
PubChem CID: 2779255
DTXSID: DTXSID50381351
EC Number: 638-964-5
Nikkaji: J3.388.031F

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 174

Physicochemical properties

Melting point: 68 · 68-71°C
Boiling point: 135 °C · 135 °C(Press: 11 Torr)
Density: 1.309 · 1.309±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature, keep dry and cool
Appearance: White to off-white Solid
Sensitive: Moisture Sensitive
CAS DataBase Reference: 3907 · 3907-15-1(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: C,Xi,Xn
Risk Statements: 22 · 22
RIDADR: 3261 · UN3261
Hazard Note: Corrosive

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (12.5%)

Safety data

ridadr: UN3261
hs_code: 2918999090
risk_code: 22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi,Xn
hazard_note: Corrosive
hazard_class: 8
packing_group: II
Hazard statements: H314-H318
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a