5-Amino-2-chlorobenzoic acid

HCID 37879CAS 89-54-3
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccc(Cl)c(C(=O)O)c1
InChIKey
GVCFFVPEOLCYNN-UHFFFAOYSA-N
Molecular formula
C7H6ClNO2
Average molar mass
171.58 g/mol
Monoisotopic mass
171.00870611

Names & identifiers

Preferred name
5-Amino-2-chlorobenzoic acid
IUPAC
5-amino-2-chlorobenzoic acid
English name
5-Amino-2-chlorobenzoic acid
Molecular formula
C7H6ClNO2
Molecular weight
171.58

Names & synonyms

5-Amino-2-chlorobenzoic acid89-54-3Benzoic acid, 5-amino-2-chloro-EINECS 201-916-5NSC 25172DTXSID4058992RefChem:101932DTXCID2048660201-916-5InChI=1/C7H6ClNO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,9H2,(H,10,112-Chloro-5-aminobenzoic acid3-amino-6-chlorobenzoic acid
Show more names
2,5-CABA5-amino-2-chloro-benzoicaci2-CHLORO-5-AMINO BENZOIC ACID5-helium-2-chlorobenzoic acid5-Amino-2-chlorobenzoic acid,97%5-Amino-2-chlorobenzoic Acid >
5-Amino-2-chloro-benzoic acidMFCD000078455-amino-2-chloro benzoic acid5-Amino-2-chlorobenzoicacid3-carboxy-4-chloroaniline2-Chloro-5-aminobenzoic Acid; 3-Amino-6-chlorobenzoic Acid; 5-Amino-2-chlorobenzoic Acid; NSC 25172NSC251726-Chlor-3-aminobenzoesaure

Database identifiers

CAS
89-54-3
PubChem CID
37879
DTXSID
DTXSID4058992
EC Number
201-916-5
Nikkaji
J79.437F

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
63.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
184 · 184-188 °C (lit.)
Boiling point
250 °C · 250°C (rough estimate)
Density
1.5 · 1.5
refractive index
1.557 · 1.5570 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
479 mg/l · 479mg/l

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 46 reports by companies from 6 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
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29224999
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoic acid, 5-amino-2-chloro-: INACTIVE

Applications

Uses5-Amino-2-chlorobenzoic Acid is a reagent in the preparation of potent and selective benzothiazole hydrazone inhibitors of Bcl-XL.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Related reactions

85 records
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Linked notes

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