(4-Ethynylphenyl)methanol

HCID 11170993CAS 10602-04-7
Substructure searchFind similar structures

Basic information

Standard SMILES
C#Cc1ccc(CO)cc1
InChIKey
QCZORVSTESPHCO-UHFFFAOYSA-N
Molecular formula
C9H8O
Average molar mass
132.16 g/mol
Monoisotopic mass
132.05751488

Names & identifiers

Preferred name
(4-Ethynylphenyl)methanol
IUPAC
(4-ethynylphenyl)methanol
English name
4-Ethynylbenzyl alcohol 97
Molecular formula
C9H8O
Molecular weight
132.16

Names & synonyms

(4-ethynylphenyl)methanolRefChem:402800627-942-010602-04-74-Ethynylbenzyl alcohol4-ethynyl-benzenemethanolMFCD056642054-ethynylbenzylalcohol(4-ethynylphenyl)-methanol(4-ethynyl-phenyl)-methanolSCHEMBL5165124-Ethynylbenzyl alcohol, 97%
Show more names
Benzenemethanol,4-ethynyl-4-Ethynylbenzyl alcohol 97%(4-ethynylphenyl)methanol, 97%mim(4-Ethynylphenyl)methanol - [E51546]
H10642Z1255489573Benzenemethanol, 4-ethynyl-4-hydroxymethylphenylacetylene1-Ethynyl-4-(hydroxymethyl)benzene4-ETHYNYLBENZYL ALCOHOL 97BCP069534-ethinyl benzylalcohol

Database identifiers

CAS
10602-04-7
PubChem CID
11170993
DTXSID
DTXSID70457502
EC Number
627-942-0
Nikkaji
J1.621.897I

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
10

Physicochemical properties

Melting point
40 · 40-44 °C(lit.)
Boiling point
239.6 · 239.6±23.0℃ (760 Torr)
Density
1.08 · 1.08±0.1 g/cm3 (20 ºC 760 Torr)
Flash point
230 °F · >230 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
form
powder to crystal

Safety & regulation

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 40 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 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
2
hs_code
2906290090
risk_code
22-36-42/43
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 1 item

Uses4-Ethynylbenzyl alcohol can be used in the synthesis of platinum-acetylide dendrimers, rotaxanes and arylacetylenes.It was employed in the preparation of arylalkyne-tagged sugars for the photoinduced glycosylation of cysteine-containing peptides.It can also act as a precursor to synthesize fluorescent probes via Cu(I)-catalyzed azide-alkyne cycloaddition (CuAAC) click reaction.

Upstream & downstream products

Suppliers50 total

上海康恩博医药科技有限公司17510465506 · [email protected]
Hangzhou Milon Pharmatech Co.,Ltd.+86-18083715844 · [email protected]
江苏泰瑞特医药科技有限公司15151368970 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

22 records
New reaction record

Linked notes

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