Basic information
- CAS
1123-63-3- Standard SMILES
Cc1cc(Cl)cc(C)c1O- InChIKey
VWYKSJIPZHRLNO-UHFFFAOYSA-N- Molecular formula
- C8H9ClO
- Average molar mass
- 156.61 g/mol
- Monoisotopic mass
- 156.0341926
Overview
Sodium Channel Blocker
Names & identifiers
- Preferred name
- 2,6-Dimethyl-4-chlorophenol
- IUPAC
- 4-chloro-2,6-dimethylphenol
- English name
- 4-CHLORO-2,6-DIMETHYLPHENOL
- Molecular formula
- C8H9ClO
- Molecular weight
- 156.61
Names & synonyms
2,6-dimethyl-4-chlorophenolRefChem:983254-Chloro-2,6-dimethylphenol1123-63-34-Chloro-2,6-xylenolPhenol, 4-chloro-2,6-dimethyl-2,6-Xylenol, 4-chloro-MFCD00020138NSC 5785NSC5785EINECS 214-376-0AI3-24558
Show more names
Farnesane Impurity 384-Chloro-2,6-xylenol (OH=1)4-Chloro-2,6-dimethylphenol,97%4-Chloro-2,6-dimethylphenol-98%5-chloro-2-methoxy-1,3-dimethylbenzene
SCHEMBL1182540CHEMBL3274799DTXSID40149982BAA123634-chloro-2,6-dimethyl-phenolSCHEMBL1214996NSC-5785STL581757
Database identifiers
- CAS
1123-63-3- PubChem CID
- 70747
- DTXSID
DTXSID40149982- ChEMBL
CHEMBL3274799- EC Number
- 214-376-0
- Nikkaji
- J108.046F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 104
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 80 · 80-85 °C
- Boiling point
- 217.76 °C · 217.76°C (rough estimate)
- Density
- 1.095 · 1.0950 (rough estimate)
- refractive index
- 1.5523 · 1.5523 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 10.23 · 10.23±0.23(Predicted)
- form
- solid
- color
- Off white
- Water Solubility
- 516.8 mg/L · 516.8mg/L(25 ºC)
- BRN
- 1908282 · 1908282
- InChI
- InChI=1S/C8H9ClO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3
- InChIKey
- VWYKSJIPZHRLNO-UHFFFAOYSA-N
- SMILES
- C1(C=C(Cl)C=C(C)C=1O)C
- CAS DataBase Reference
- 1123 · 1123-63-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26
- 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
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 6 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2908190090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers61 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
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郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
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武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
安徽合诺生物科技有限公司18455579438
南京代盟化工有限公司02566880956 · [email protected]
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Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
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广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
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sgtlifesciences pvt ltd+91-8790379245 · [email protected]
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江西弗莱医药科技有限公司15870833005 · [email protected]
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上海源叶生物科技有限公司18916372613 · [email protected]
格莱斯兰德（天津）医药科技有限公司022-83705301 13752403750 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
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河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
Aladdin Scientific[email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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Related reactions
9 records
Compound notes
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