CAS 456-42-8 3-Fluorobenzyl chloride (HCID 9974)

Names & identifiers

Preferred name: 3-Fluorobenzyl chloride
IUPAC: 1-(chloromethyl)-3-fluorobenzene
English name: 3-Fluorobenzyl chloride
Molecular formula: C7H6ClF
Molecular weight: 144.57

Names & synonyms

3-Fluorobenzyl chloride456-42-81-(Chloromethyl)-3-fluorobenzeneM-FLUOROBENZYL CHLORIDEBenzene, 1-(chloromethyl)-3-fluoro-3-Fluorobenzylchloride1-Chloromethyl-3-fluoro-benzeneToluene, .alpha.-chloro-m-fluoro-MFCD00000904.alpha.-Chloro-m-fluorotoluene.alpha.-Chloro-3-fluorotoluene3-(chloromethyl)-1-fluorobenzene

Show more names

Fluorobenzyl3-Benzyl3-CFC-benzyl3-FluorobenzylAKOS BBS-00003858Chlorobenzyl fluorideFLUOROBENZYL-3 CHLORIDEMizolastine Impurity 34

NSC-60720alpha-Chloro-3-fluorotoluenealpha-Chloro-m-fluorotoluene1-(chloromethyl)-3-fluoro-benzeneEINECS 207-264-8NSC 607203-flurobenzylchloridem-fluorobenzylchloride

Database identifiers

CAS: 456-42-8
PubChem CID: 9974
DTXSID: DTXSID4060026
UNII: DXT56E2KBP
EC Number: 207-264-8、925-883-8
Nikkaji: J59K

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 85

Experimental & physicochemical properties

Vapor Pressure0.99 [mmHg]

Physical DescriptionColorless liquid with a pungent odor; [Alfa Aesar MSDS]

Kovats Retention Index987.1；987.1；1000

Physicochemical properties

Melting point: 34.5 · 34.5-36 °C
Boiling point: 176 · 176-177 °C
Density: 1.194 g/mL · 1.194 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.511(lit.)
Flash point: 138 °F · 138 °F
storage temp.: 30 °C · Store below +30°C.
solubility: 40 g/l · 40g/l
form: clear liquid
color: Colorless to Light yellow
Specific Gravity: 1.194 · 1.194
Water Solubility: 40 g/L · 40 g/L (20 ºC)
Sensitive: Lachrymatory
BRN: 742265 · 742265
InChI: 1S/C7H6ClF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKey: XBDXMDVEZLOGMC-UHFFFAOYSA-N
SMILES: Fc1cc(ccc1)CCl
LogP: 2.77 · 2.77
CAS DataBase Reference: 456 · 456-42-8(CAS DataBase Reference)
NIST Chemistry Reference: 1 · Benzene, 1-(chloromethyl)-3-fluoro-(456-42-8)
EPA Substance Registry System: 1 · Benzene, 1-(chloromethyl)-3-fluoro- (456-42-8)
UNSPSC Code: 12352101 · 12352101
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H226-H314
Precautionary statements: 280 · P280-P305+P351+P338-P310-P309
Hazard Codes: C
Risk Statements: 34 · 34-37
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2920 · UN 2920 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive/Lachrymatory
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29036990 · 29036990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 Skin · Flam. Liq. 3Skin Corr. 1B
REACH Registrations: Active
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H226 (98%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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 51 reports by companies from 7 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

Regulatory Information · 3 items

Chemical: Benzene, 1-(chloromethyl)-3-fluoro-

Status: Active Update: 02-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/24765

3-Fluorobenzyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (98%)；Skin Corr. 1B (100%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.；Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

Regulatory information

Regulatory Information · 3 items

Chemical: Benzene, 1-(chloromethyl)-3-fluoro-

Status: Active Update: 02-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/24765

3-Fluorobenzyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Safety data

wgk: 3
tsca: TSCA listed
ridadr: UN 2920 8/PG 2
hs_code: 29036990
risk_code: 34-37
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36/37/39-45
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H318-H226-H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Active
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B
Precautionary statements: P280-P305+P351+P338-P310-P309