ChemicalBook--->CAS DataBase List--->2516-96-3

2516-96-3

2516-96-3 Structure

2516-96-3 Structure
IdentificationMore
[Name]

2-Chloro-5-nitrobenzoic acid
[CAS]

2516-96-3
[Synonyms]

2-CHLORO-5-NITROBENZOIC ACID
5-NITRO-2-CHLOROBENZOIC ACID
LABOTEST-BB LT00847209
RARECHEM AL BO 0234
2-chloro-5-nitro-benzoicaci
6-Chloro-3-nitrobenzoic acid
Benzoic acid, 2-chloro-5-nitro-
2-Chloro-5-nirtrobenzoic acid
DIETHYL AZELATE, TECH., 90%
2,5-CNBA
2-Chloro-5-nitrobenzoic acid, 99+%
2-Chloro-5-nitrobenzoic
2-Chlor-5-nitrobenzoesure
2-Chloro-5-nitrobenzoic acid, 98+%
4-Chloro-3-carboxynitrobenzene
[EINECS(EC#)]

219-739-7
[Molecular Formula]

C7H4ClNO4
[MDL Number]

MFCD00007294
[Molecular Weight]

201.56
[MOL File]

2516-96-3.mol
Chemical PropertiesBack Directory
[Appearance]

light yellow to light yellow-green crystalline
[Melting point ]

165-168 °C (lit.)
[Boiling point ]

356.5±27.0 °C(Predicted)
[density ]

1.6
[refractive index ]

1.6000 (estimate)
[Fp ]

>100°C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

3.6g/l
[form ]

Crystalline Powder
[pka]

pK1: 2.17 (25°C)
[color ]

Light yellow to beige-brown
[BRN ]

1877474
[Henry's Law Constant]

6.5×103 mol/(m3Pa) at 25℃, Abraham and Jr. (2019)
[InChI]

1S/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)
[InChIKey]

QUEKGYQTRJVEQC-UHFFFAOYSA-N
[SMILES]

OC(=O)c1cc(ccc1Cl)[N+]([O-])=O
[CAS DataBase Reference]

2516-96-3(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Chloro-5-nitrobenzoic acid(2516-96-3)
[EPA Substance Registry System]

2516-96-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H317-H319
[Precautionary statements ]

P261-P264-P272-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn,N,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R50:Very Toxic to aquatic organisms.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
[RIDADR ]

UN3077 9/PG 3
[WGK Germany ]

1
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29163900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Sens. 1
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Chlorobenzoic acid-->2-Chloro-5-nitrobenzyl alcohol-->2-Chloro-5-nitrobenzaldehyde
[Preparation Products]

BUTAFENACIL-->5-Amino-2-chlorobenzoic acid-->3-Nitrosalicylic acid-->4,4'-Dinitrodiphenic acid-->2-Chloro-3,5-dinitrobenzoic acid-->Methyl 2-fluoro-5-nitrobenzoate-->OLSALAZINE-->2,2'-Dithiobis(5-nitrobenzoic acid)-->2-Amino-10H-dibenzo[b,f][1,4]oxazepin-11-one-->5-chloro-3-phenyl-2,1-benzisoxazole-6-carboxylic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Chloro-5-nitrobenzoic acid(2516-96-3).msds
Hazard InformationBack Directory
[Chemical Properties]

light yellow to light yellow-green crystalline
[Uses]

2-Chloro-5-nitrobenzoic Acid is used in the synthesis of sesquiterpenoids as potential antibacterial compounds. Also used in the synthesis of substituted phenyl oxazoles as novel LSD1 inhibitors with antiproliferative activity. In addition it’s used to synthesize cathespin L inhibitors.
[General Description]

2-Chloro-5-nitrobenzoic acid undergoes microwave-assisted, regioselective amination reaction with aliphatic and aromatic amines to yield N-substituted 5-nitroanthranilic acid derivatives. It acts as ligand and forms a red luminescent one dimensional coordination polymer with Eu(III).
Spectrum DetailBack Directory
[Spectrum Detail]

2-Chloro-5-nitrobenzoic acid(2516-96-3)MS
2-Chloro-5-nitrobenzoic acid(2516-96-3)1HNMR
2-Chloro-5-nitrobenzoic acid(2516-96-3)13CNMR
2-Chloro-5-nitrobenzoic acid(2516-96-3)IR1
2-Chloro-5-nitrobenzoic acid(2516-96-3)IR2
2-Chloro-5-nitrobenzoic acid(2516-96-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Chloro-5-nitrobenzoic acid, 99+%(2516-96-3)
[Alfa Aesar]

2-Chloro-5-nitrobenzoic acid, 98+%(2516-96-3)
[Sigma Aldrich]

2516-96-3(sigmaaldrich)
[TCI AMERICA]

2-Chloro-5-nitrobenzoic Acid,>98.0%(T)(2516-96-3)
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