2,2,2-Trichloro-1-phenylethanol

HCID 16150
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Basic information

CAS
2000-43-3
Standard SMILES
OC(c1ccccc1)C(Cl)(Cl)Cl
InChIKey
ABFRBTDJEKZSRM-UHFFFAOYSA-N
Molecular formula
C8H7Cl3O
Average molar mass
225.5 g/mol
Monoisotopic mass
223.956248

Names & identifiers

Preferred name
2,2,2-Trichloro-1-phenylethanol
IUPAC
2,2,2-trichloro-1-phenylethanol
English name
2,2,2-Trichloro-1-phenylethanol
Molecular formula
C8H7Cl3O
Molecular weight
225.5

Names & synonyms

2,2,2-Trichloro-1-phenylethanol2000-43-3Benzenemethanol, alpha-(trichloromethyl)-Benzenemethanol, .alpha.-(trichloromethyl)-EINECS 217-887-7BRN 0510385AI3-04634DTXSID70518424-06-00-03049 (Beilstein Handbook Reference)RefChem:80787DTXCID8030398217-887-7
Show more names
efiran99AURORA KA-7035TIMTEC-BB SBB008085trichloromethylphenylcarbinolA-(TRICHLOROMETHYL)BENZYL ALCOHOLA,A,A-TRICHLOROMETHYLPHENYLCARBINOL
ABFRBTDJEKZSRM-UHFFFAOYSA-N2,2,2-trichloro-1-phenylethan-1-olEfiran 991-Phenyl-2,2,2-trichloroethanolPhenyl(trichloromethyl)carbinolTrichloromethylphenyl carbinolNSC 2796MFCD00043571

Database identifiers

CAS
2000-43-3
PubChem CID
16150
DTXSID
DTXSID7051842
EC Number
217-887-7
Nikkaji
J28.519F

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Melting point
37 °C · 37 °C
Boiling point
93 · 93-96°C 0,8mm
Density
1.425 · 1.4250 (rough estimate)
refractive index
1.569 · 1.5690
Flash point
93 · 93-96°C/0.8mm
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.；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 InformationChemical: Benzenemethanol, .alpha.-(trichloromethyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (20%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (20%)

Regulatory information

Regulatory InformationChemical: Benzenemethanol, .alpha.-(trichloromethyl)-

Safety data

tsca
TSCA listed
rtecs
DP1325000
Toxicity
LDLo scu-rat: 790 mg/kg JPETAB 24,405,24
risk_code
36/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenemethanol, .alpha.-(trichloromethyl)-: INACTIVE

Applications

Uses2,2,2-Trichloro-1-phenylethanol is used as pharmaceutical intermediate.

Upstream & downstream products

Suppliers40 total

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hangzhou Verychem Science And Technology Co.Ltd+86-86-57188162785 +8613606544505 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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