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alpha-Cyclopropyl-2-thiophenemethanol

HCID 98065
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
60942-21-4
Standard SMILES
OC(c1cccs1)C1CC1
InChIKey
PEZSCBMHDXNXQL-UHFFFAOYSA-N
Molecular formula
C8H10OS
Average molar mass
154.23 g/mol
Monoisotopic mass
154.04523611

Names & identifiers

Preferred name
alpha-Cyclopropyl-2-thiophenemethanol
IUPAC
cyclopropyl(thiophen-2-yl)methanol
English name
alpha-cyclopropylthiophene-2-methanol
Molecular formula
C8H10OS
Molecular weight
154.23

Names & synonyms

Alpha-cyclopropyl-2-thiophenemethanolDTXSID801299131RefChem:555482DTXCID20172928160942-21-4cyclopropyl(thiophen-2-yl)methanolalpha-Cyclopropylthiophene-2-methanolEINECS 275-507-5(1)-alpha-Cyclopropylthiophene-2-methanol71477-16-2cyclopropyl(2-thienyl)methanolNSC73511
Show more names
α-Cyclopropyl-2-thiophenemethanol2-Thiophenemethanol, α-cyclopropyl-
EINECS 262-532-1cyclopropyl-2-thienylcarbinolSCHEMBL1309752|A-Cyclopropyl-2-thiophenemethanolNSC 73511NSC-73511I+/--Cyclopropyl-2-thiophenemethanolAKOS010335856

Database identifiers

CAS
60942-21-4、71477-16-2
PubChem CID
98065
DTXSID
DTXSID801299131
EC Number
262-532-1、275-507-5
Nikkaji
J268.356C

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
48.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
10
Formal charge
0
Complexity
122

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319-H302
Precautionary statements
264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P

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 · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H302
Precautionary statements
P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Suppliers1 total

上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

6 records
New reaction record
HRID 234876 reaction equation
HRID 234876As reactantuspto-grants-1997_01
HRID 304207 reaction equation
HRID 304207As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 483937 reaction equation
HRID 483937As reactantuspto-grants-1993_07
HRID 1729014 reaction equation
HRID 1729014As reactantuspto-grants-1994_07
HRID 1768542 reaction equation
HRID 1768542As reactantuspto-grants-1995_01
HRID 2395943 reaction equation
HRID 2395943As reactantuspto-grants-1996_02

Compound notes

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