(4-Iodo-3-methylphenyl)methanol

HCID 53843601CAS 959632-18-9
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(CO)ccc1I
InChIKey
GKVHYRRQQVUDKB-UHFFFAOYSA-N
Molecular formula
C8H9IO
Average molar mass
248.06 g/mol
Monoisotopic mass
247.96981291

Names & identifiers

Preferred name
(4-Iodo-3-methylphenyl)methanol
IUPAC
(4-iodo-3-methylphenyl)methanol
English name
4-iodo-3-methylbenzenemethanol
Molecular formula
C8H9IO
Molecular weight
248.06

Names & synonyms

(4-iodo-3-methylphenyl)methanol959632-18-9Benzenemethanol, 4-iodo-3-methyl-(4-Iodo-3-methyl-phenyl)-methanol4-iodo-3-methylBenzenemethanolMFCD11036281SCHEMBL171208SCHEMBL16959160GKVHYRRQQVUDKB-UHFFFAOYSA-N(4-iodo-3-methyl-phenyl)methanolDTXSID301305634DA-39302
Show more names
CS-0378772EN300-193484G74834(4-Iodo-3-methylphenyl)methanol - [K89863]F761425

Database identifiers

CAS
959632-18-9
PubChem CID
53843601
DTXSID
DTXSID301305634
EC Number
190-437-4

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Boiling point
281.4 · 281.4±25.0 °C(Predicted)
Density
1.751 · 1.751±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C, protect from light
pka
14.16 · 14.16±0.10(Predicted)
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers6 total

苏州施亚生物科技有限公司17715136450 · [email protected]
安徽合诺生物科技有限公司18455579438
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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