Basic information
- CAS
1124-07-8- Standard SMILES
Cc1cc(O)c(Cl)cc1Cl- InChIKey
NDCNJVOXMCCKBP-UHFFFAOYSA-N- Molecular formula
- C7H6Cl2O
- Average molar mass
- 177.02 g/mol
- Monoisotopic mass
- 175.9795702
Names & identifiers
- Preferred name
- 4,6-Dichloro-m-cresol
- IUPAC
- 2,4-dichloro-5-methylphenol
- English name
- 4,6-dichloro-m-cresol
- Molecular formula
- C7H6Cl2O
- Molecular weight
- 177.02794
Names & synonyms
2,4-Dichloro-5-methylphenol4,6-Dichloro-m-cresolm-Cresol, 4,6-dichloro-Phenol, 2,4-dichloro-5-methyl-3X574MBA3QEINECS 214-389-1NSC 60723NSC-60723DTXSID10150025RefChem:96633DTXCID0072516m-Cresol, 4,6-dichloro-(8CI)
Show more names
214-389-11124-07-8MFCD115201092,4-dichloro-5-methyl-phenolPhenol,2,4-dichloro-5-methyl-NSC60723m-Cresol,6-dichloro-UNII-3X574MBA3Q
Database identifiers
- CAS
1124-07-8- PubChem CID
- 70757
- DTXSID
DTXSID10150025- UNII
- 3X574MBA3Q
- EC Number
- 214-389-1
- Nikkaji
- J80.175E
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 118
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 73 °C · 73°C
- Boiling point
- 251.88 °C · 251.88°C (rough estimate)
- Density
- 1.297 · 1.2970 (rough estimate)
- refractive index
- 1.572 · 1.5720 (estimate)
- pka
- 8.17 · 8.17±0.23(Predicted)
- FDA UNII
- 3 X574MBA3Q · 3X574MBA3Q
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2908190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers25 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]
安徽合诺生物科技有限公司0555-2761852
常州安轩化工有限公司13912302692 · [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]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
Wuhan Demeikai Biotechnology Co., Ltd+8618942921723 · [email protected]
南京政琦科技有限公司19853943728 19853943728 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
天津瑾昇生物医药科技有限责任公司13820634634 18622687818 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…