Basic information
- CAS
15258-73-8- Standard SMILES
OCc1c(Cl)cccc1Cl- InChIKey
WKKHCCZLKYKUDN-UHFFFAOYSA-N- Molecular formula
- C7H6Cl2O
- Average molar mass
- 177.02 g/mol
- Monoisotopic mass
- 175.9795702
Names & identifiers
- Preferred name
- Benzenemethanol, 2,6-dichloro-
- IUPAC
- (2,6-dichlorophenyl)methanol
- English name
- 2,6-Dichlorobenzyl alcohol
- Molecular formula
- C7H6Cl2O
- Molecular weight
- 177.03
Names & synonyms
Show more names
Database identifiers
- CAS
15258-73-8- PubChem CID
- 27156
- DTXSID
DTXSID30165075- UNII
- J8KSU5EL67
- EC Number
- 239-300-3
- Nikkaji
- J81.837B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 97
Physicochemical properties
- Melting point
- 96 · 96-98 °C(lit.)
- Boiling point
- 150 °C · 150°C 25mm
- Density
- 1.297 · 1.2970 (rough estimate)
- refractive index
- 1.557 · 1.5570 (estimate)
- Flash point
- 150 °C/25mm · 150°C/25mm
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.57 · 13.57±0.10(Predicted)
- color
- White to Off-White
- BRN
- 1938356 · 1938356
- InChI
- 1S/C7H6Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
- InChIKey
- WKKHCCZLKYKUDN-UHFFFAOYSA-N
- SMILES
- OCc1c(Cl)cccc1Cl
- CAS DataBase Reference
- 15258 · 15258-73-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 KSU5EL67 · J8KSU5EL67
- NIST Chemistry Reference
- 2 · 2,6-Dichlorobenzyl alcohol(15258-73-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H402
- Precautionary statements
- 273 · P273-P501-P280g-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- RTECS
- 900000 · DO0900000
- Hazard Note
- Irritant
- HS Code
- 29062990 · 29062990
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Benzenemethanol, 2,6-dichloro-
Benzenemethanol, 2,6-dichloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Regulatory information
Regulatory Information
Chemical: Benzenemethanol, 2,6-dichloro-
Benzenemethanol, 2,6-dichloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- DO0900000
- hs_code
- 29062990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335-H402
- Precautionary statements
- P273-P501-P280g-P305+P351+P338
Chemistry & industry
Applications
Uses2,6-Dichlorobenzyl Alcohol is a useful reagent in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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