Basic information
- CAS
13856-85-4- Standard SMILES
CCC(O)c1ccc(Cl)cc1- InChIKey
TXAWBKBMGZKBNN-UHFFFAOYSA-N- Molecular formula
- C9H11ClO
- Average molar mass
- 170.63 g/mol
- Monoisotopic mass
- 170.04984265
Names & identifiers
- Preferred name
- 4-Chloro-alpha-ethylbenzenemethanol
- IUPAC
- 1-(4-chlorophenyl)propan-1-ol
- English name
- 4-chloro-alpha-ethylbenzyl alcohol
- Molecular formula
- C9H11ClO
- Molecular weight
- 170.64
Names & synonyms
13856-85-44-Chloro-alpha-ethylbenzyl alcohol4-Chloro-alpha-ethylbenzenemethanolRefChem:521731237-591-11-(4-chlorophenyl)propan-1-ol4-Chloro-a-ethyl-benzenemethanolEINECS 237-591-1MFCD000219131-(4-chlorophenyl)-1-propanol(S)-1-(4-CHLOROPHENYL)-1-PROPANOL1-(4-Chlorophenyl)propane-1-ol
Show more names
α-Ethyl-4-chlorobenzenemethanol4-Chloro-α-ethylbenzenemethanol4-Chloro-α-ethylbenzenemethanolBenzenemethanol, 4-chloro-α-ethyl-BenzeneMethanol, 4-chloro-a-ethyl-
alpha-Ethyl-4-chlorobenzenemethanol(4-chlorophenyl)propanol4-Chloro-ethylbenZenemethanolSCHEMBL8684624-Chloro-a-ethylbenzenemethanolSCHEMBL7286544CHEMBL2251579SCHEMBL10609419
Database identifiers
- CAS
13856-85-4- PubChem CID
- 83774
- DTXSID
DTXSID70930148- ChEMBL
CHEMBL2251579- EC Number
- 237-591-1
- Nikkaji
- J280.339I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- storage temp.
- Store at Room Tem.
- Boiling point
- 123 · 123-125 °C(Press: 11 Torr)
- Density
- 1.145 · 1.145±0.06 g/cm3(Predicted)
- pka
- 14.22 · 14.22±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers18 total
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
上海指月生物科技有限公司13918644899 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海索本生物科技有限公司15088289376;13917786310 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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