Basic information
- CAS
608-26-4- Standard SMILES
Cc1cccc(O)c1Cl- InChIKey
HKHXLHGVIHQKMK-UHFFFAOYSA-N- Molecular formula
- C7H7ClO
- Average molar mass
- 142.58 g/mol
- Monoisotopic mass
- 142.0185425
Names & identifiers
- Preferred name
- 2-Chloro-m-cresol
- IUPAC
- 2-chloro-3-methylphenol
- English name
- 2-chloro-m-cresol
- Molecular formula
- C7H7ClO
- Molecular weight
- 142.58
Names & synonyms
2-chloro-3-methylphenol2-Chloro-m-cresolo-chloro-m-cresolm-Cresol, 2-chloro-XZT2VD3JL6EINECS 210-156-3Phenol, 2-chloro-3-methyl-DTXSID90209641RefChem:86380DTXCID40132132210-156-3608-26-4
Show more names
2-chloro-3-methyl-phenolMFCD00036178Phenol, chloro-3-methyl-ChlormetakresolUNII-XZT2VD3JL6SCHEMBL546021SCHEMBL1306181SCHEMBL2046472
Database identifiers
- CAS
608-26-4- PubChem CID
- 14852
- DTXSID
DTXSID90209641- ChEMBL
CHEMBL3236921- UNII
- XZT2VD3JL6
- EC Number
- 210-156-3
- Nikkaji
- J95.368G
Properties
Computed structural properties
- XLogP
- 2.6
- 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
Physicochemical properties
- Melting point
- 56 ℃ · 56℃
- Boiling point
- 230 ℃ · 230℃
- Density
- 1.1104 · 1.1104 (rough estimate)
- refractive index
- 1.539 · 1.5390 (estimate)
- pka
- 8.6 · 8.60±0.10(Predicted)
- form
- solid
- color
- White
- FDA UNII
- 2 VD3JL6 · XZT2VD3JL6
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H317-H318-H400
- Precautionary statements
- 264 · P264-P270-P280-P261-P272-P273-P301+P312-P330-P302+P352-P312-P362+P364-P333+P313-P305+P351+P338-P310-P391-P501
- HS Code
- 2908190090 · 2908190090
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
Danger
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- hs_code
- 2908190090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- Hazard statements
- H302-H312-H317-H318-H400
- Precautionary statements
- P264-P270-P280-P261-P272-P273-P301+P312-P330-P302+P352-P312-P362+P364-P333+P313-P305+P351+P338-P310-P391-P501
Chemistry & industry
Applications
Uses2-Chloro-m-cresol is a derivative of m-cresol (C781915) which is one of the components that make up liquid rice hull smoke, and may contribute to its anti-inflammatory effects in mice.
Upstream & downstream products
Downstream products
Suppliers20 total
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
石家庄斯迪亚诺精细化工有限公司
Related reactions
1 records
Compound notes
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