1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-

HCID 74468
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Basic information

CAS
1757-72-8
Standard SMILES
Cn1c(-c2ccccc2)c(C=O)c2ccccc21
InChIKey
YJOWMBICANYBLV-UHFFFAOYSA-N
Molecular formula
C16H13NO
Average molar mass
235.28 g/mol
Monoisotopic mass
235.09971404

Names & identifiers

Preferred name
1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-
IUPAC
1-methyl-2-phenylindole-3-carbaldehyde
English name
1-Methyl-2-phenylindole-3-carboxaldehyde
Molecular formula
C16H13NO
Molecular weight
235.28

Names & synonyms

1757-72-81H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-EINECS 217-149-4DTXSID6061947RefChem:438724DTXCID10355791-Methyl-2-phenyl-1H-indole-3-carbaldehyde1-methyl-2-phenylindole-3-carboxaldehyde1-methyl-2-phenylindole-3-carbaldehydeMFCD001860651-Methyl-2-phenyl-3-formylindole1-Methyl-2-phenylindole-3-carboxyaldehyde
Show more names
METHYL-2-PHENYL-3-FORMYLINDOLE3-FORMYL-1-METHYL-2-PHENYLINDOLE3-Formyl-N-methyl-2-phenylindole1-METHYL-2-PHENYL-3-FORMYL INDOLE3-Formyl-1-methyl-2-phenyl-1H-indole1-METHYL-2-PHENYLINDOL-3-FORMALDEHYDEN-Methyl-2-Phenylindole-3-Carboxaldehyde
1-methyl-2-phenyl-indole-3-carbaldehydeMLS000709096SCHEMBL1429358CHEMBL1607352HMS2669J221-methyl-2-phenyl-3-formyl-indoleBBL013018SBB063807

Database identifiers

CAS
1757-72-8
PubChem CID
74468
DTXSID
DTXSID6061947
ChEMBL
CHEMBL1607352
EC Number
217-149-4
Nikkaji
J36.862H

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
22 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
18

Experimental & physicochemical properties

Solubility19.5 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point
128 °C · 128 °C
Boiling point
447.4 · 447.4±33.0 °C(Predicted)
Density
1.11 · 1.11±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C, stored under nitrogen
Appearance
White to light yellow Solid
CAS DataBase Reference
1757 · 1757-72-8(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): 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 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

tsca
TSCA listed
hs_code
29339900
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25
Hazard statements
H315-H319-H335

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-: ACTIVE

Upstream & downstream products

Downstream products

Suppliers76 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
南京予善化工有限公司025-025-85281586 +86-18105181009
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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