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1-(4-Chlorophenyl)-1-Cyclopropanemethanol

HCID 2724020
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
80866-81-5
Standard SMILES
OCC1(c2ccc(Cl)cc2)CC1
InChIKey
BGZFRSZKNNOKSW-UHFFFAOYSA-N
Molecular formula
C10H11ClO
Average molar mass
182.64 g/mol
Monoisotopic mass
182.0498427

Names & identifiers

Preferred name
1-(4-Chlorophenyl)-1-Cyclopropanemethanol
IUPAC
[1-(4-chlorophenyl)cyclopropyl]methanol
English name
1-(4-Chlorophenyl)-1-cyclopropanemethanol
Molecular formula
C10H11ClO
Molecular weight
182.65

Names & synonyms

80866-81-51-(4-Chlorophenyl)-1-Cyclopropanemethanol(1-(4-Chlorophenyl)cyclopropyl)methanol[1-(4-chlorophenyl)cyclopropyl]methanol1-(4-chlorophenyl)cyclopropylmethanol1-(4-chlorophenyl)cyclopropanemethanolCyclopropanemethanol,1-(4-chlorophenyl)-MFCD000669291-(p-Chlorophenyl)cyclopropanemethanolEINECS 279-585-1SCHEMBL3615305DTXSID50230759
Show more names
Cyclopropanemethanol, 1-(4-chlorophenyl)-[1-(4-CHLORO-PHENYL)-CYCLOPROPYL]-METHANOL1-(4-Chlorophenyl)-1-cyclopropanemethanol,98%
AKOS023416964AB02717RS-1014SB84246[(4-chlorophenyl)cyclopropyl]methan-1-ol[1-(4-chlorophenyl)-cyclopropyl]-methanolDB-056469CS-0088409

Database identifiers

CAS
80866-81-5
PubChem CID
2724020
DTXSID
DTXSID50230759
EC Number
279-585-1
Nikkaji
J320.327A

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
157

Physicochemical properties

Melting point
50 · 50-54 °C
Boiling point
260.78 °C · 260.78°C (rough estimate)
Density
1.0929 · 1.0929 (rough estimate)
refractive index
1.5169 · 1.5169 (estimate)
storage temp.
Sealed in dry,Room Temperature
pka
15.1 · 15.10±0.10(Predicted)
Appearance
white solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety Statements
24 · 24/25
HS Code
29062900 · 29062900

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
29062900
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Suppliers22 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
砌块化学科技(上海)有限公司021-20432219 13918097649 · [email protected]
上海宸香医药科技有限公司021-20960837 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
常州锐博生物科技有限公司0519-81884608 18205027398 · [email protected]
济南荣科药业有限公司18615606162 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
砌块化学科技(上海)有限公司021-20432219 13918097649 · [email protected]
Capot Chemical Co.,Ltd.+86-(0)57185586718 +86-13336195806 · [email protected]
聿锦(天津)科技有限公司13370351217 kungfu1217@1 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]

Related reactions

4 records
New reaction record
HRID 693804 reaction equation
HRID 693804As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 867913 reaction equation
HRID 867913As reactantuspto-grants-1988_10
HRID 1911559 reaction equation
HRID 1911559As reactantuspto-grants-2013_12
HRID 1911562 reaction equation
HRID 1911562As reactantuspto-grants-2013_12

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
砌块化学科技(上海)有限公司021-20432219 13918097649 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
佰美济华(河南)医药科技有限公司0371-88900765 18037465274 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]