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Calconcarboxylic acid

Calconcarboxylic acid structure

CAS No:
3737-95-9
Formula:
C21H14N2O7S
Chemical Name:
Calconcarboxylic acid
Synonyms:
2-Naphthalenecarboxylic acid,3-hydroxy-4-[2-(2-hydroxy-4-sulfo-1-naphthalenyl)diazenyl]-;2-Naphthoic acid,3-hydroxy-4-[(2-hydroxy-4-sulfo-1-naphthyl)azo]-;2-Naphthalenecarboxylic acid,3-hydroxy-4-[(2-hydroxy-4-sulfo-1-naphthalenyl)azo]-;3-Hydroxy-4-[2-(2-hydroxy-4-sulfo-1-naphthalenyl)diazenyl]-2-naphthalenecarboxylic acid;NN;Patton-Reeder indicator;Calconcarboxylic acid;2-Hydroxy-1-(2-hydroxy-4-sulfo-1-naphthylazo)-3-naphthoic acid;Calcon-3-carboxylic acid;Patton and Reeder's indicator;Kalces;2-Hydroxy-1-(2-hydroxy-4-sulpho-1-naphthylazo)-3-naphthoic acid;NSC 97307;Cal-Red;3-Hydroxy-4-(2-hydroxy-4-sulfo-1-naphthylazo)-2-naphthalenecarboxylic acid;1163130-35-5
Categories:
Chemical Reagents > Organic Reagents

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Description

dark violet powder

Calconcarboxylic acid Basic Attributes

Molecular Weight：

438.42

Exact Mass：

438.41

BRN：

727492

EC Number：

223-117-0

NSC Number：

97307

DSSTox ID：

DTXSID5063156

HScode：

2927000090

Characteristics

PSA：

165.23000

XLogP3：

2.86

Appearance：

Very dark purple to black Powder

Density：

1.6±0.1 g/cm3

Melting Point：

300 °C(lit.)

Refractive Index：

1.734

Water Solubility：

H2O: slightly soluble

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-(2-hydroxy-4-sulfo-1-naphthylazo)-2-hydroxy-3-naphthoic acid

Calconcarboxylic acid Use and Manufacturing

Uses

Complex indicator, determination of calcium

Manufacturing Info：

2-Naphthalenecarboxylic acid, 3-hydroxy-4-[2-(2-hydroxy-4-sulfo-1-naphthalenyl)diazenyl]-: ACTIVE

Computed Properties

Molecular Weight:438.4
XLogP3:4.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:438.05217196
Monoisotopic Mass:438.05217196
Topological Polar Surface Area:165
Heavy Atom Count:31
Complexity:798
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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