2,6-Bis(chloromethyl)-4-methylphenol
Basic information
- CAS
5862-32-8- Standard SMILES
Cc1cc(CCl)c(O)c(CCl)c1- InChIKey
NUSAOAJCGJSAIU-UHFFFAOYSA-N- Molecular formula
- C9H10Cl2O
- Average molar mass
- 205.08 g/mol
- Monoisotopic mass
- 204.0108703
Names & identifiers
- Preferred name
- 2,6-Bis(chloromethyl)-4-methylphenol
- IUPAC
- 2,6-bis(chloromethyl)-4-methylphenol
- English name
- 2,6-Bis(chloromethyl)-4-methylphenol, 97
- Molecular formula
- C9H10Cl2O
- Molecular weight
- 205.08
Names & synonyms
2,6-Bis(chloromethyl)-4-methylphenolRefChem:445221627-733-45862-32-8Phenol, 2,6-bis(chloromethyl)-4-methyl-MESITOL, alpha(sup 2),alpha(sup 6)-DICHLORO-2,6-Bis(chloromethyl)-p-cresolNSC85480SCHEMBL4408009WLN: G1R BQ E1 C1GDTXSID202073322,6-bischloromethyl4-methylphenol
Show more names
alpha(sup2),alpha(sup6)-dichloro-mesito2,6-Bis(chloromethyl)-4-methylphenol, 972,6-Bis(chloromethyl)-4-methylphenol 97%2-Hydroxy-5-methyl-1,3-xylylene dichloride
NUSAOAJCGJSAIU-UHFFFAOYSA-NMesitol,.alpha.(sup 6)-dichloro-MFCD00060277NSC-85480Phenol,6-bis(chloromethyl)-4-methyl-AS-87493SY411995YH205917
Database identifiers
- CAS
5862-32-8- PubChem CID
- 22146
- DTXSID
DTXSID20207332- EC Number
- 627-733-4
- Nikkaji
- J41.661D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Melting point
- 76 · 76-83 °C
- Boiling point
- 314.4 · 314.4±37.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- pka
- 9.04 · 9.04±0.50(Predicted)
- InChI
- InChI=1S/C9H10Cl2O/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,12H,4-5H2,1H3
- InChIKey
- NUSAOAJCGJSAIU-UHFFFAOYSA-N
- SMILES
- C1(O)=C(CCl)C=C(C)C=C1CCl
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 280 · P280-P302+P352-P305+P351+P338+P310
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- OX6600000
- ridadr
- UN 3335
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H318-H335
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P302+P352-P305+P351+P338+P310
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
2 records
Compound notes
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