1-(Bromomethyl)-2,3-difluoro-benzene

HCID 517984

Notes Reactions

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Basic information

CAS: 113211-94-2
Standard SMILES: Fc1cccc(CBr)c1F
InChIKey: FTBSGSZZESQDBM-UHFFFAOYSA-N
Molecular formula: C7H5BrF2
Average molar mass: 207.01 g/mol
Monoisotopic mass: 205.9542687

Names & identifiers

Preferred name: 1-(Bromomethyl)-2,3-difluoro-benzene
IUPAC: 1-(bromomethyl)-2,3-difluorobenzene
English name: 2,3-Difluorobenzyl bromide
Molecular formula: C7H5BrF2
Molecular weight: 207.02

Names & synonyms

benzene, 1-(bromomethyl)-2,3-difluoro-1-(Bromomethyl)-2,3-difluoro-benzeneRefChem:427204628-547-62,3-Difluorobenzyl bromide113211-94-21-(Bromomethyl)-2,3-difluorobenzenealpha-Bromo-2,3-difluorotoluenea-bromo-2,3-difluorotolueneMFCD000424882,3-difluoro-benzyl bromideSCHEMBL127091

Show more names

CAS:113211-94-2TIMTEC-BB SBB0066812,3-Difluorophenyl bromideα-bromo-2,3-difluorotolueneà-bromo-2,3-difluorotoluene2,3-Difluorobenzylbromide98%2,3-DifluorobenzylBromide>2,3-Difluorobenzyl bromide 98%

2,3-Difluorobenzylbromide1-(Bromomethyl)-2,3-difluorobenzene #AM612692,3-difluorobenzyl-bromideSCHEMBL28190978DTXSID203337612,3-Difluorobenzyl bromide, 98%1-bromomethyl-2,3-difluoro-benzene

Database identifiers

CAS: 113211-94-2
PubChem CID: 517984
DTXSID: DTXSID20333761
EC Number: 628-547-6
Nikkaji: J1.240.619C

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Physicochemical properties

Boiling point: 190.5 · 190.5±25.0 °C(Predicted)
Density: 1.628 g/mL · 1.628 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.528(lit.)
Flash point: 194 °F · 194 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: clear liquid
color: Colorless to Light yellow
Specific Gravity: 1.628 · 1.628
Sensitive: Lachrymatory
BRN: 7089244 · 7089244
InChI: 1S/C7H5BrF2/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
InChIKey: FTBSGSZZESQDBM-UHFFFAOYSA-N
SMILES: Fc1cccc(CBr)c1F
CAS DataBase Reference: 113211 · 113211-94-2(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2,3-Difluorobenzyl bromide(113211-94-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C,Xi
Risk Statements: 34 · 34-36/37/38
Safety Statements: 26 · 26-36/37/39-45-25-36/37
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-19-21
Hazard Note: Corrosive/Lachrymatory
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29049090 · 29049090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

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

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

Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationBenzene, 1-(bromomethyl)-2,3-difluoro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

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

Safety data

F: 10-19-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29049090
risk_code: 34-36/37/38
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36/37/39-45-25-36/37
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Applications

Uses2,3-Difluorobenzyl bromide was used in the synthesis of chemokine antagonists.

Upstream & downstream products

Upstream raw materials

Downstream products

(S)-2-AMINO-3-(2,3-DIFLUORO-PHENYL)-PROPIONIC ACID

Suppliers100 total

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]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

上海策嵘生物科技有限公司[email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

83 records

New reaction record

HRID 72383As reactantuspto-grants-2014_09

HRID 114498As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 166934As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 193345As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 201876As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 211281As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 307249As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 424676As reactantuspto-grants-2012_01

Compound notes

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