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Calcium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate]

HCID 106331
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
67990-35-6
Standard SMILES
Cc1cc(N=Nc2c(O)ccc3ccccc23)c(S(=O)(=O)[O-])cc1Cl.Cc1cc(N=Nc2c(O)ccc3ccccc23)c(S(=O)(=O)[O-])cc1Cl.[Ca+2]
InChIKey
VAMWUMJBWMYDOF-UHFFFAOYSA-L
Molecular formula
C34H24CaCl2N4O8S2
Average molar mass
791.7 g/mol
Monoisotopic mass
790.0038523

Names & identifiers

Preferred name
Calcium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate]
IUPAC
calcium bis(5-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonate)
English name
calcium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate]
Molecular formula
C34H24CaCl2N4O8S2
Molecular weight
791.69036

Names & synonyms

JJC4UL3044Benzenesulfonic acid, 5-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-4-methyl-, calcium salt (2:1)EINECS 268-057-6CALCIUM BIS[2-CHLORO-5-[(2-HYDROXY-1-NAPHTHYL)AZO]TOLUENE-4-SULPHONATE]Benzenesulfonic acid, 5-chloro-2-((2-hydroxy-1-naphthalenyl)azo)-4-methyl, calcium salt (2:1)Benzenesulfonic acid, 5-chloro-2-((2-hydroxy-1-naphthalenyl)azo)-4-methyl-, calcium salt (2:1)Calcium bis(2-chloro-5-((2-hydroxy-1-naphthyl)azo)toluene-4-sulphonate)Benzenesulfonic acid, 5-chloro-2-(2-(2-hydroxy-1-naphthalenyl)diazenyl)-4-methyl-, calcium salt (2:1)Benzenesulfonic acid, 5-chloro-2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-4-methyl-, calcium salt (2:1)RefChem:573393268-057-667990-35-6
Show more names
CTK5C7084C.I.15585:2Pigment Red 53:2Calcium Lake Red CC.I.Pigment Red 53:25-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-4-methyl-benzenesulfonic aci calBis[2-(2-hydroxy-1-naphtylazo)-4-methyl-5-chlorobenzenesulfonic acid] calcium salt

Properties

Computed structural properties

Topological polar surface area
221 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
12
Rotatable bonds
4
Heavy atoms
51
Formal charge
0
Complexity
581

Physicochemical properties

FDA UNII
4 UL3044 · JJC4UL3044
EPA Substance Registry System
5 · Benzenesulfonic acid, 5-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-4-methyl-, calcium salt (2:1) (67990-35-6)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS ClassificationNot Classified

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenesulfonic acid, 5-chloro-2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-4-methyl-, calcium salt (2:1): ACTIVE

Suppliers6 total

Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
超彩实业有限公司0574-83851061 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
广州糖姆氏生命科学有限公司020-31155029 18902330969 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Calcium 5-chloro-2-((2-hydroxynaphthalen-1-yl)diazenyl)-4-methylbenzenesulfonatecalcium;5-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonatecalcium (E)-5-chloro-2-((2-hydroxynaphthalen-1-yl)diazenyl)-4-methylbenzenesulfonatecalcium bis(5-chloro-2-[(1E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-4-methylbenzene-1-sulfonate)UNII-JJC4UL3044DTXSID4070956CABICDXOYIAPLD-VLSRTVODSA-LNS00086250

Database identifiers

CAS
67990-35-6
PubChem CID
106331
DTXSID
DTXSID4070956
UNII
JJC4UL3044
EC Number
268-057-6