Basic information
- CAS
23299-18-5- Standard SMILES
CC(C)NCC(O)c1cccc(Cl)c1- InChIKey
WPRYXHDMUFXECU-UHFFFAOYSA-N- Molecular formula
- C11H16ClNO
- Average molar mass
- 213.7 g/mol
- Monoisotopic mass
- 213.0920418
Names & identifiers
- Preferred name
- 1-(3-Chlorophenyl)-2-(isopropylamino)ethanol
- IUPAC
- 1-(3-chlorophenyl)-2-(propan-2-ylamino)ethanol
- English name
- 3-Chlorophenylmethanesulfonyl chloride
- Molecular formula
- C11H16ClNO
- Molecular weight
- 213.7
Names & synonyms
23299-18-51-(3-CHLOROPHENYL)-2-(ISOPROPYLAMINO)ETHANOL1-(3-chlorophenyl)-2-(propan-2-ylamino)ethanol1-(3-Chlorophenyl)-2-(isopropylamino)ethan-1-ol1-(3-Chlorophenyl)-2-[(propan-2-yl)amino]ethan-1-olMFCD08060964SCHEMBL9640610SCHEMBL29493213DTXSID40601272AKOS009463519AS-30407ST085923
Show more names
Benzenemethanol, 3-chloro-α-[[(1-methylethyl)amino]methyl]-
CS-03239301-(3-chlorophenyl)-2-[(methylethyl)amino]ethan-1-olbenzene, 1-chloro-3-(1-hydroxy-2-isopropylamino)ethyl-1-(3-Chlorophenyl)-2-(isopropylamino)ethanol, AldrichCPR
Database identifiers
- CAS
23299-18-5- PubChem CID
- 19913640
- DTXSID
DTXSID40601272- EC Number
- 681-840-0
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 329.7 · 329.7±27.0 °C(Predicted)
- Density
- 1.117 · 1.117±0.06 g/cm3(Predicted)
- pka
- 13.71 · 13.71±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (20%)
Safety data
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers4 total
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]
山东小野化学股份有限公司0539-6362799 20）
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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