2-Fluorobenzamide

HCID 67964CAS 445-28-3
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(=O)c1ccccc1F
InChIKey
KGGHWIKBOIQEAJ-UHFFFAOYSA-N
Molecular formula
C7H6FNO
Average molar mass
139.13 g/mol
Monoisotopic mass
139.04334198

Names & identifiers

Preferred name
2-Fluorobenzamide
IUPAC
2-fluorobenzamide
English name
2-Fluorobenzamide
Molecular formula
C7H6FNO
Molecular weight
139.13

Names & synonyms

2-Fluorobenzamide445-28-3Benzamide, 2-fluoro-Benzamide, o-fluoro-HM4GB9599UDTXSID4075407RefChem:87143DTXCID0040337207-157-6o-FluorobenzamideMFCD00007970ortho-Fluorobenzamide
Show more names
Benzamide, 2-fLo-fluoro-benzamid2-fluoro-benzamid2-Fluorobenzamide>ortho-Fluorobenzamide2-Fluorobenzamide,98%LABOTEST-BB LT00848244
o-Fluorobenzoic acid amideBRN 2325863EINECS 207-157-6fluorobenzamidefluorobenzene-carboxamide2-Fluorobenzamide, 98%2-carbamoyl-1-fluorobenzeneA1CT0

Database identifiers

CAS
445-28-3
PubChem CID
67964
DTXSID
DTXSID4075407
ChEMBL
CHEMBL121910
UNII
HM4GB9599U
EC Number
207-157-6
Nikkaji
J149.989K

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
43.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

Vapor Pressure0.00109 [mmHg]
Physical DescriptionWhite powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
117 · 117-119 °C (lit.)
Boiling point
238.4 · 238.4±23.0 °C(Predicted)
Density
1.2099 · 1.2099 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Slightly), DMSO (Slightly)
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Benzamide.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
rtecs
CV4953333
hs_code
29242990
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications

Uses2-Fluorobenzamide can be useful in microwave assisted preparation of oxazole-dehydrozingerone based hybrid molecules as anti-tubercular agents and their docking for Mtb DNA gyrase.

General Description2-Fluorobenzamide inhibits the activity of poly(ADP-ribose) synthetase in vitro. It undergoes coupling with anilines in the presence of lithium amides to yield N-arylanthranilamides.

Upstream & downstream products

Downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
河北贞田食品添加剂有限公司0319-5925599 13373390591
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

26 records
New reaction record

Linked notes

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2-Fluorobenzamide (HCID 67964)｜Huagongshe