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HC Red 11

HCID 22320962
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Basic information

CAS
95576-92-4
Standard SMILES
O=[N+]([O-])c1cc(NCC(O)CO)c(Cl)cc1NCC(O)CO
InChIKey
IJBOVPNSQXXDJB-UHFFFAOYSA-N
Molecular formula
C12H18ClN3O6
Average molar mass
335.74 g/mol
Monoisotopic mass
335.088413

Names & identifiers

Preferred name
HC Red 11
IUPAC
3-[2-chloro-4-(2,3-dihydroxypropylamino)-5-nitroanilino]propane-1,2-diol
English name
HC RED NO. 11
Molecular formula
C12H18ClN3O6
Molecular weight
335.74

Names & synonyms

HC RED NO. 11HC RED 1195576-92-4QJA4M30N21HC Red No. 11 [INCI]DTXSID708798011,2-Propanediol, 3,3'-((2-chloro-5-nitro-1,4-phenylene)diimino)bis-1,2-Propanediol, 3,3'-[(2-chloro-5-nitro-1,4-phenylene)diimino]bis-RefChem:783433DTXCID001017804680-609-13-[2-chloro-4-(2,3-dihydroxypropylamino)-5-nitroanilino]propane-1,2-diol
Show more names
1014 HC RED 111,2-Propanediol, 3,3-(2-chloro-5-nitro-1,4-phenylene)diiminobis-
1,2-Propanediol,3,3'-[(2-chloro-5-nitro-1,4-phenylene)diimino]bis-UNII-QJA4M30N21SCHEMBL1136820IJBOVPNSQXXDJB-UHFFFAOYSA-NQ272872923,3'-[(2-Chloro-5-nitro-1,4-phenylene)bis(azanediyl)]di(propane-1,2-diol)

Database identifiers

CAS
95576-92-4
PubChem CID
22320962
DTXSID
DTXSID70879801
UNII
QJA4M30N21
EC Number
680-609-1

Properties

Computed structural propertiesFilling in

XLogP
0.8
Topological polar surface area
151 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
22
Formal charge
0
Complexity
345

Experimental & physicochemical properties

CosmeticsHair dyeing

Physicochemical properties

Cosmetics Ingredients Functions
HAIR DYEING
EWG's Food Scores
1 · 1-2
FDA UNII
4 M30N21 · QJA4M30N21
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
412 · H412-H302
Precautionary statements
273 · P273-P501-P264-P270-P301+P312-P330-P501

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 Classification · 6 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 36 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

Hazard information

Regulatory Information · 2 items

Chemical: 1,2-Propanediol, 3,3'-[(2-chloro-5-nitro-1,4-phenylene)diimino]bis-

1,2-Propanediol, 3,3'-[(2-chloro-5-nitro-1,4-phenylene)diimino]bis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - Chemicals with limited data availability that may be used in hair dyes in Australia: Human health tier II assessment
Hazard Classes and Categories · 2 items

Acute Tox. 4 (100%)

Acute toxicity - category 4

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H412-H302
Precautionary statements
P273-P501-P264-P270-P301+P312-P330-P501

Chemistry & industry

Uses & manufacturing

Use ClassificationCosmetics -> Hair dyeing

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Compound notes

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