alpha-Bromo-o-fluorotoluene (HCID 67968)

Names & identifiers

Preferred name: alpha-Bromo-o-fluorotoluene
IUPAC: 1-(bromomethyl)-2-fluorobenzene
English name: 2-Fluorobenzyl bromide
Molecular formula: C7H6BrF
Molecular weight: 189.02

Names & synonyms

2-Fluorobenzyl bromide446-48-0alpha-Bromo-o-fluorotolueneBenzene, 1-(bromomethyl)-2-fluoro-EINECS 207-169-1DTXSID50196240RefChem:555413DTXCID60118731207-169-11-(Bromomethyl)-2-fluorobenzeneo-Fluorobenzyl bromide2-fluorobenzylbromide

Show more names

1-(BROMOMETHYL)-2-FLUORO-BENZENE2-Fluorobenzyl bromi2-Fluarobenzyl bromideà-bromo-2-fluorotolueneα-Bromo-2-fluorotoluene2-FluorobenzylBromide>2-Fluorobenzylbromide,98%2- fluorinebenzyl broMide

MFCD000003242-Fluoro-benzyl bromide1-bromomethyl-2-fluorobenzene1-Fluoro-2-(bromomethyl)benzene2-fluoro-benzylbromide2-fluorobenzyl-bromideorthofluorobenzyl bromide2-fluoro benzyl bromide

Database identifiers

CAS: 446-48-0
PubChem CID: 67968
DTXSID: DTXSID50196240
UNII: R66VUL5SDN
EC Number: 207-169-1
Nikkaji: J31.785C

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

Physicochemical properties

Boiling point: 84 · 84-85 °C15 mm Hg(lit.)
Density: 1.567 g/mL · 1.567 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.552(lit.)
Flash point: 181 °F · 181 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Liquid
Specific Gravity: 1.567 · 1.567
color: Clear colorless to slightly yellow
Sensitive: Lachrymatory
BRN: 1099894 · 1099894
InChI: InChI=1S/C7H6BrF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChIKey: FFWQLZFIMNTUCZ-UHFFFAOYSA-N
SMILES: C1(CBr)=CC=CC=C1F
CAS DataBase Reference: 446 · 446-48-0(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2-Fluorobenzyl bromide(446-48-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 261 · P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
target organs: Respiratory system
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34-36/37
Safety Statements: 23 · 23-26-27-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive/Lachrymatory
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29039990 · 29039990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 BSTOT · Skin Corr. 1BSTOT SE 3
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 · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 52 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationBenzene, 1-(bromomethyl)-2-fluoro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29039990
risk_code: 34-36/37
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 23-26-27-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
target organs: Respiratory system
Hazard statements: H314-H335
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)
Hazard Classifications: Skin Corr. 1BSTOT SE 3
Precautionary statements: P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications

Uses2-Fluorobenzyl bromide was used:in the synthesis of 2-pyrrolo[2,3-d]pyrimidinesas alkylating agent during the synthesis of 8-alkylated imidazolo[1,2-a]pyrimid-5-onesin the synthesis of prasugrel

Upstream & downstream products

Downstream products

(2-Fluoro-phenyl)-methanesulfonyl chloride Ethyl 2-fluorophenylacetate 2-Bromomethyl-1-fluoro-4-nitrobenzene Cyclopropyl 2-fluorobenzyl ketone 2-Fluoro-DL-phenylalanine (2-Fluoro-benzyl)-hydrazine 1-(2-fluorobenzyl)piperidin-4-ol N-Benzyl-2-fluoro-N-MethylbenzylaMine, 97%Benzenemethanamine, 2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-2-Fluorobenzylmethylsulfone 1-[(2-Fluorophenyl)methyl]-1H-indole-2,3-dione Benzene, 2-chloro-1-[(2-fluorophenyl)methoxy]-4-nitro-

Suppliers50 total

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]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

Related reactions

343 records

New reaction record

HRID 8292As reactantuspto-grants-2006_08

HRID 11752As reactantuspto-grants-2006_08

HRID 25002As reactantuspto-grants-2005_02

HRID 45947As reactantuspto-grants-2013_09

HRID 51371As reactantuspto-grants-2004_03

HRID 77813As reactantuspto-grants-2014_09

HRID 86891As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 91311As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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Basic information