2-(4-Fluorophenyl)indole

HCID 136622

Notes Reactions

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Basic information

CAS: 782-17-2
Standard SMILES: Fc1ccc(-c2cc3ccccc3[nH]2)cc1
InChIKey: VLHGDCJIDNVRFM-UHFFFAOYSA-N
Molecular formula: C14H10FN
Average molar mass: 211.23 g/mol
Monoisotopic mass: 211.07972754

Names & identifiers

Preferred name: 2-(4-Fluorophenyl)indole
IUPAC: 2-(4-fluorophenyl)-1H-indole
English name: 6-(4-Fluorophenyl)indole
Molecular formula: C14H10FN
Molecular weight: 211.23

Names & synonyms

2-(4-Fluorophenyl)indole782-17-2DTXSID30228836RefChem:457731DTXCID80151327620-707-32-(4-fluorophenyl)-1H-indole2-(4-Fluorophenyl) indoleMaybridge1_007619MFCD00068178SCHEMBL2061664HMS563C07

Show more names

FLUOROPHENYL(6-(4-))INDOLE2-(4-Fluorophenyl)indole>2-(4-Fluorophenyl)indole97%2-(4-Fluorophenyl)indole ,98%2-(4-FLUOROPHENYL)INDOLE 97%1H-Indole, 2-(4-fluorophenyl)-

BBL015570STK166414AKOS000121406PS-8004AC-12292SY035718EN300-21178D90671

Database identifiers

CAS: 782-17-2
PubChem CID: 136622
DTXSID: DTXSID30228836
ChEMBL: CHEMBL2262917
EC Number: 620-707-3
Nikkaji: J693.480C

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 15.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 235

Physicochemical properties

Melting point: 188 · 188-191 °C(lit.)
Boiling point: 389.1 · 389.1±17.0 °C(Predicted)
Density: 1.232 · 1.232±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystal
pka: 16.51 · 16.51±0.30(Predicted)
color: White to Orange to Green
BRN: 744766 · 744766
CAS DataBase Reference: 782 · 782-17-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-36/37/39-27
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29339900 · 29339900

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

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 29339900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-36/37/39-27
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Downstream products

2-(4-Fluorophenyl)indoline

Suppliers76 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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

HRID 9061As reactantuspto-grants-2006_08

HRID 9077As reactantuspto-grants-2006_08

HRID 304591As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1210221As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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