3-Fluorobenzyl chloride (HCID 9974)

Namen und Bezeichner

Bevorzugter Name: 3-Fluorobenzyl chloride
IUPAC: 1-(chloromethyl)-3-fluorobenzene
Lokaler Name: alpha-Chlor-p-fluortoluol
Englischer Name: 3-Fluorobenzyl chloride
Summenformel: C7H6ClF
Molmasse: 144.57

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 85

Experimentelle und physikochemische Eigenschaften

Vapor Pressure0.99 [mmHg]

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

Kovats Retention Index987.1；987.1；1000

Physikochemische Eigenschaften

Schmelzpunkt: 34.5 · 34.5-36 °C
Siedepunkt: 176 · 176-177 °C
Dichte: 1.194 g/mL · 1.194 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.511(lit.)
Flammpunkt: 138 °F · 138 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: 40 g/l · 40g/l
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
Wichte: 1.194 · 1.194
Wasserlöslichkeit: 40 g/L · 40 g/L (20 ºC)
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 Datenbank: 456 · 456-42-8(CAS DataBase Reference)
NIST chemische Informationen: 1 · Benzene, 1-(chloromethyl)-3-fluoro-(456-42-8)
EPA chemische Informationen: 1 · Benzene, 1-(chloromethyl)-3-fluoro- (456-42-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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%)

Toxikologische Informationen

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.

Regulatorische Informationen

Regulatory Information · 3 Einträge

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

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2920 8/PG 2
hs_code: 29036990
risk_code: 34-37
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36/37/39-45
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1-(chloromethyl)-3-fluoro-: INACTIVE

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Nachgelagerte Produkte

1-(Dichlormethyl)-3-fluorbenzol (3-Fluorphenyl)acetonitril 3-Fluorbenzylalkohol Benzenepropanenitrile, 3-fluoro-α,α-dimethyl-Benzenepropanal, 3-fluoro-α,α-dimethyl-N-(3-fluorobenzyl)ethane-1,2-diamine 3-Fluorobenzylzinc chloride CHEMBRDG-BB 9071407

Anbieter50 Anbieter

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]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

Syntechem Co.,Ltd[email protected]

Zugehörige Reaktionen

118

Reaktionsaufzeichnung erstellen

HRID 18771als Eduktuspto-grants-2010_06

HRID 51357als Eduktuspto-grants-2004_03

HRID 93093als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 103935als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 117066als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 131641als Eduktuspto-grants-2008_06

HRID 136642als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 142498als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

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