Basic information
- CAS
6640-27-3- Standard SMILES
Cc1ccc(O)c(Cl)c1- InChIKey
AQJFATAFTQCRGC-UHFFFAOYSA-N- Molecular formula
- C7H7ClO
- Average molar mass
- 142.58 g/mol
- Monoisotopic mass
- 142.01854252
Overview
2-Chloro-4-methylphenol is a hydroxytoluene.
Names & identifiers
- Preferred name
- 2-Chloro-4-methylphenol
- IUPAC
- 2-chloro-4-methylphenol
- English name
- 2-Chloro-4-methylphenol
- Molecular formula
- C7H7ClO
- Molecular weight
- 142.58
Names & synonyms
2-Chloro-4-methylphenol2-Chloro-p-cresolPhenol, 2-chloro-4-methyl-p-Cresol, 2-chloro-EINECS 229-656-8UNII-1J012K1LJCNSC 48848NSC-488481J012K1LJCDTXSID50225123-CHLORO-4-HYDROXYTOLUENERefChem:86249
Show more names
2-Chloro-p-cresol>2-Chloro-4-methylphenol2-chloro-4-methyl-pheno2-Chloro-p-cresol (OH=1)2-Chloro-4-methylphenol, 97%C11439200 2-Chloro-4-methylphenol
p-Cresol, 2-chloro-(8CI)DTXCID302512AQJFATAFTQCRGC-UHFFFAOYSA-NInChI=1/C7H7ClO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H6640-27-3MFCD000706392-cholor-4-methyl-phenol2-Chloro-4-methyl-phenol
Database identifiers
- CAS
6640-27-3- PubChem CID
- 14851
- DTXSID
DTXSID5022512- ChEBI
CHEBI:79732- UNII
- 1J012K1LJC
- EC Number
- 229-656-8
- Nikkaji
- J27.285J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.9
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 193 · 193-195 °C
- Boiling point
- 195 · 195-196 °C (lit.)
- Density
- 1.211 g/mL · 1.211 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.553(lit.)
- Flash point
- 187 °F · 187 °F
- storage temp.
- Sealed in dry,Room Temperature
- Water Solubility
- Practically insoluble in water
- form
- clear liquid
- pka
- 8.79 · 8.79±0.18(Predicted)
- Specific Gravity
- 1.21 · 1.21
- color
- Colorless to Light orange to Yellow
- InChI
- 1S/C7H7ClO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (93.5%): 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 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Phenol, 2-chloro-4-methyl-
Hazard Classes and CategoriesSkin Irrit. 2 (93.5%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2669 6.1/PG 2
- hs_code
- 29081990
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-36
- hazard_class
- 6.1(a)
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2-chloro-4-methyl-: ACTIVE
Applications
Uses2-Chloro-4-methylphenol is one of eleven estrogenic and odorous chloro- compounds found in surface water.
General DescriptionThe rate of photocatalytic degradation of 2-chloro-4-methylphenol was studied.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
上海策嵘生物科技有限公司[email protected]
武汉欣扬瑞和化学科技有限公司
Related reactions
23 records
Compound notes
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