Basic information
- Standard SMILES
Cc1cc(Cl)ccc1Br- InChIKey
RTIPTGMVQIIMKL-UHFFFAOYSA-N- Molecular formula
- C7H6BrCl
- Average molar mass
- 205.48 g/mol
- Monoisotopic mass
- 203.93413997
Names & identifiers
- Preferred name
- 2-Bromo-5-chlorotoluene
- IUPAC
- 1-bromo-4-chloro-2-methylbenzene
- English name
- 1-Bromo-4-chloro-2-methylbenzene
- Molecular formula
- C7H6BrCl
- Molecular weight
- 205.48
Names & synonyms
2-Bromo-5-chlorotoluene14495-51-31-Bromo-4-chloro-2-methylbenzeneEINECS 238-503-4DTXSID90162848RefChem:466790DTXCID4085339238-503-4InChI=1/C7H6BrCl/c1-5-4-6(9)2-3-7(5)8/h2-4H,1HBenzene, 1-bromo-4-chloro-2-methyl-MFCD00000602Toluene, 2-bromo-5-chloro-
Show more names
2-Bromo-5-chL1-Bromo-4-chloro-2-mBromo-5-chlorotoluene5-CHLORO-2-BROMOTOLUENE2-Bromo-5-Chlorotolune98%2-Bromo-5-chlorotoluene,98%2-Bromo-5-chlorotoluene >
1-Bromo-4-chloro-2-methyl-benzene2-bromo-5-chloro-toluene1-Bromo-4-chloro-2-methylbenzene #AKOS015842238CS-W015363EN300-80697F112116-Bromo-3-chlorotoluene
Database identifiers
- CAS
14495-51-3- PubChem CID
- 84476
- DTXSID
DTXSID90162848- UNII
- SKU92X9K9G
- EC Number
- 238-503-4
- Nikkaji
- J149.791J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.9
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Boiling point
- 98 · 98-100 °C (25 mmHg)
- Density
- 1.543 g/mL · 1.543 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.575(lit.)
- Flash point
- 204 °F · 204 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Water Solubility
- INSOLUBLE
- BRN
- 2500157 · 2500157
- InChI
- InChI=1S/C7H6BrCl/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
- InChIKey
- RTIPTGMVQIIMKL-UHFFFAOYSA-N
- SMILES
- C1(Br)=CC=C(Cl)C=C1C
- CAS DataBase Reference
- 14495 · 14495-51-3(CAS DataBase Reference)
- FDA UNII
- 92 X9K9G · SKU92X9K9G
- NIST Chemistry Reference
- 1 · Benzene, 1-bromo-4-chloro-2-methyl-(14495-51-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- Hazard Note
- 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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29039990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- 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
- P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Bromo-5-chlorotoluene has been used in the preparation of 4-chloro-2-methylbenzophenone.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Related reactions
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