Fluorene-9-acetic acid

HCID 94852
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Basic information

CAS
6284-80-6
Standard SMILES
O=C(O)CC1c2ccccc2-c2ccccc21
InChIKey
WFSMJMTYIMFHPV-UHFFFAOYSA-N
Molecular formula
C15H12O2
Average molar mass
224.25 g/mol
Monoisotopic mass
224.08372962

Overview

used for tagging silica-based derivatization reagents in HPLC

Names & identifiers

Preferred name
Fluorene-9-acetic acid
IUPAC
2-(9H-fluoren-9-yl)acetic acid
English name
Fluorene-9-acetic acid
Molecular formula
C15H12O2
Molecular weight
224.25

Names & synonyms

6284-80-69-Fluoreneacetic acidFluorene-9-acetic acid9-FluoreneacetateDTXSID50212015RefChem:459407DTXCID501345062-(9H-fluoren-9-yl)acetic acid(9H-Fluoren-9-yl)acetic acid9H-Fluorene-9-acetic acidMFCD00013262fluoren-9-acetic acid
Show more names
9-FluoreneaceticFluorene-9-aceticaci9-FLUORENYLACETIC ACID9-FluoreneaceticAcid>Fluoroene-9-acetic Acid9-Fluoreneacetic acid 99%
SCHEMBL423709-Fluoreneacetic acid, 99%CHEMBL44381(9H-Fluoren-9-yl)-acetic acidAC-4879SY0486742-fluoren-9-ylacetic acidEN300-1833850

Database identifiers

CAS
6284-80-6
PubChem CID
94852
DTXSID
DTXSID50212015
ChEMBL
CHEMBL44381
EC Number
613-090-7
Nikkaji
J414.333G

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
17

Physicochemical properties

Melting point
133 · 133-135 °C (lit.)
Boiling point
325.66 °C · 325.66°C (rough estimate)
Density
1.1139 · 1.1139 (rough estimate)
refractive index
1.66 · 1.6600 (estimate)
storage temp.
Sealed in dry,Room Temperature
form
powder to crystal

Safety & regulation

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 5 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 CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29163900
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

UsesIt was used in preparation of pyrokinin class of insect neuropeptides. It was also used in preparation of N-(9-fluoreneacetyl)-L-leucine.

Upstream & downstream products

Suppliers51 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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