3-Chloro-2-(chloromethyl)-2-methylpropan-1-ol
Basic information
- CAS
5355-54-4- Standard SMILES
CC(CO)(CCl)CCl- InChIKey
DOANJBQUOFJQHC-UHFFFAOYSA-N- Molecular formula
- C5H10Cl2O
- Average molar mass
- 157.04 g/mol
- Monoisotopic mass
- 156.0108703
Names & identifiers
- Preferred name
- 3-Chloro-2-(chloromethyl)-2-methylpropan-1-ol
- IUPAC
- 3-chloro-2-(chloromethyl)-2-methylpropan-1-ol
- English name
- 3-chloro-2-(chloromethyl)-2-methylpropan-1-ol
- Molecular formula
- C5H10Cl2O
- Molecular weight
- 157.04
Names & synonyms
3-Chloro-2-(chloromethyl)-2-methylpropan-1-ol5355-54-4EINECS 226-338-0DTXSID902017613-Chloro-2-(chloromethyl)-2-methyl-1-propanolRefChem:499720DTXCID20124252226-338-02,2-Bis(chloromethyl)-1-propanol1-Propanol, 3-chloro-2-(chloromethyl)-2-methyl-2,2-bischloromethylpropanol2549GCL8FK
Show more names
2,2-Bis-(chloromethyl)-1-propanol3-Chloro-2-chloromethyl-2-methyl-1-propanol
SCHEMBL4350288SCHEMBL6141412AKOS006381953NS000327853-Chloro-2-(chloromethyl)-2-methyl-1-propanol #
Database identifiers
- CAS
5355-54-4- PubChem CID
- 79312
- DTXSID
DTXSID90201761- UNII
- 2549GCL8FK
- EC Number
- 226-338-0
- Nikkaji
- J217.923G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 61.4
Physicochemical properties
- Boiling point
- 218.51 °C · 218.51°C (rough estimate)
- Density
- 1.1924 · 1.1924 (rough estimate)
- refractive index
- 1.443 · 1.4430 (estimate)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H318-H300
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501
- Hazard Codes
- T
- Risk Statements
- 25 · 25-37/38-41
- Safety Statements
- 26 · 26-39-45
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
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 2 (100%)
Safety data
- risk_code
- 25-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T
- safety_code
- 26-39-45
- Hazard statements
- H315-H335-H318-H300
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…