CAS 60956-23-2 1,2-Dibromo-4-methylbenzene (HCID 34679)

Names & identifiers

Preferred name: 1,2-Dibromo-4-methylbenzene
IUPAC: 1,2-dibromo-4-methylbenzene
English name: 3,4-Dibromotoluene
Molecular formula: C7H6Br2
Molecular weight: 249.93

Names & synonyms

60956-23-21,2-dibromo-4-methylbenzeneRefChem:411552612-055-33,4-DibromotolueneBenzene, 1,2-dibromo-4-methyl-MFCD000797443,4-Dibromtoluol2943-34-2NSC1398791,2-dibromo-4-methyl-benzeneDTXSID90209782

Show more names

NSC 139879343,4-DiBromotoluene3,4-Dibromotoluene>3.4-dibromethylbenzene3,4-Second Bromotoluene3,4-Dibromotoluene,98+%3,4-Dibromotoluene, GC 98%Benzene,1,2-dibromo-4-methyl-

AKOS015834613CS-W012651NSC-139879AC-25931DS-18165EN300-18935383,4-DibromoFT-0614212

Database identifiers

CAS: 60956-23-2
PubChem CID: 34679
DTXSID: DTXSID90209782
EC Number: 612-055-3
Nikkaji: J90.123G

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 92

Physicochemical properties

Melting point: -10 °C · -10 °C
Boiling point: 91 · 91-92 °C (3 mmHg)
Density: 1.807 g/mL · 1.807 g/mL at 25 °C
refractive index: 1.5985 · 1.5985-1.6005
Flash point: 91 · 91-92°C/3mm
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light yellow
Specific Gravity: 1.85 · 1.85
Water Solubility: Not miscible or difficult to mix with water.
BRN: 1931706 · 1931706
InChI: 1S/C7H6Br2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKey: LDCPXNOCWDGYIU-UHFFFAOYSA-N
SMILES: Cc1ccc(Br)c(Br)c1
CAS DataBase Reference: 60956 · 60956-23-2(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29039990 · 29039990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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. 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (85.4%)

Safety data

wgk: 3
hs_code: 29039990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesIt can be used in organic synthesis.

Upstream & downstream products

Upstream raw materials

Arsonous dichloride, (4-methylphenyl)- (9CI)2-Bromo-5-methylbenzenamine 2,4-Dibromotoluene p-Toluidine p-Acetotoluidide 2-Bromo-4-methylaniline Toluene Benzylamine

Downstream products

2,5-Dibromotoluene 4-Bromotoluene 3-Bromotoluene 2-Bromotoluene

Suppliers100 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]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

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

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Related reactions

7 records

New reaction record

HRID 171896As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 909185As reactantuspto-grants-2011_09

HRID 912442As reactantuspto-grants-2011_09

HRID 987169As reactantuspto-grants-2003_10

HRID 1715607As reactantuspto-grants-2010_09

HRID 1897466As reactantuspto-grants-2013_08

HRID 2112176As reactantuspto-grants-2009_04

Compound notes

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Basic information