1,3-Benzenediamine, sulfate (1:1)

HCID 10942CAS 541-70-8

Basic information

Standard SMILES
Nc1cccc(N)c1.O=S(=O)(O)O
InChIKey
LDXYDHGRKFMULJ-UHFFFAOYSA-N
Molecular formula
C6H8N2.H2O4S
Average molar mass
206.22 g/mol
Monoisotopic mass
206.0361278

Overview

On the basis of the animal and clinical data included in this report, the CIR Expert Panel concludes that m-Phenylenediamine and m-Phenylenediamine Sulfate are safe for use in hair dyes at concentrations of up to 10%.

Names & identifiers

Preferred name
1,3-Benzenediamine, sulfate (1:1)
IUPAC
benzene-1,3-diamine;sulfuric acid
English name
1,3-Phenylenediamine sulfate
Molecular formula
C6H10N2O4S
Molecular weight
206.22

Names & synonyms

541-70-8m-Phenylenediamine sulfate1,3-Benzenediamine, sulfate (1:1)UNII-O7CFS23KORHSDB 62451,3-BENZENEDIAMINE SULFATEm-Phenylenediamine, sulfate (1:1)EINECS 208-791-61,3-Benzenediamine, sulfateCOLOREX MPDSRODOL MPDSDTXSID7060251
Show more names
m-Phenylenediamine sM-PhenylenediaMine sulfam-Benzenediamine sulfatem-Phenylendiamine sulfate1,3-benzenediaminesulfate1,3-DIAMINOBENZENE SULFATEBenzene-1,3-diaMine sulfate1,3-Phenylenedimine sulfate
PHENYLENEDIAMINE SULFATE, M-1,3-BENZENEDIAMINE SULFATE [HSDB]mPhenylenediamine sulfateRefChem:724281,3Phenylenediamine sulfateBenzene1,3diammonium sulphateDTXCID7041598M-PHENYLENEDIAMINE SULFATE [INCI]

Database identifiers

CAS
541-70-8
PubChem CID
10942
DTXSID
DTXSID7060251
UNII
O7CFS23KOR
EC Number
208-791-6

Properties

Computed structural properties

Topological polar surface area
135 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
13

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amines, Aromatic
CosmeticsCosmetic ingredients (m-Phenylenediamine Sulfate) -> CIR (Cosmetic Ingredient Review)

Physicochemical properties

Water Solubility
Soluble in water
form
powder to crystal
color
White to Light yellow to Purple
Cosmetics Ingredients Functions
HAIR DYEING
Cosmetic Ingredient Review (CIR)
1 · 1,3-Phenylenediamine sulfate (541-70-8)
CAS DataBase Reference
541 · 541-70-8(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H301 (87.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

Hazard information

Regulatory Information · 2 items

Chemical: 1,3-Benzenediamine, sulfate (1:1)

1,3-Benzenediamine, sulfate (1:1): 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 - 1,3-Benzenediamine, sulfate (1:1): Human health tier II assessment
Hazards Summary · 1 item

Can potentially induce methemoglobinemia; Emergency treatment: Paraphenylenediamine; In sensitized individuals, paraphenylenediamine may cause allergic contact dermatitis following application as a hair dye and asthma following inhalation; Following ingestion, can cause angioneurotic edema, methemoglobinemia, acute tubular necrosis, and hepatotoxicity; An adult died after ingestion of 3 grams of p-phenylenediamine; Another adult who ingested 1800 mg developed angioneurotic edema and acute renal failure; [HSDB] See m-Phenylenediamine.

Special Reports · 2 items

USEPA; Phenylenediamines; response to interagency testing committee; Fed Regist 47 (5): 973-83 (1982). Evidence is given supporting testing of the class of cmpd phenylenediamines for their toxic effects on human health and the environment. The results of toxicity testing of 22 cmpd are tabulated as are the effects for which testing is being considered for 13 cmpd, and the uses or potential uses of 47 phenylenediamines. The human exposure potential and environmental release are also to be considered.

Milman HA, Peterson C; Apparent correlation between structure and carcinogenicity of phenylenediamines and related compounds; Environmental Health Perspectives 56: 261-73 (1984). The carcinogenicity of 23 phenylenediamines and related compounds was reviewed.

TSCA RequirementsManufacturers and processors of meta-phenylenedimine or its sulfate salt are required to conduct health efffects, chemical fate and environmental effects testing under TSCA section 4.
Hazard Classes and Categories · 2 items

Acute Tox. 3 (87.5%)

Acute toxicity (ingestion) - category 3

Safety & protection

Disposal Methods · 1 item

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Toxicology

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Toxicity Summary · 2 items

On the basis of the animal and clinical data included in this report, the CIR Expert Panel concludes that m-Phenylenediamine and m-Phenylenediamine Sulfate are safe for use in hair dyes at concentrations of up to 10%.

Safe for use in cosmetics, with qualifications

Human Toxicity Excerpts/SRP/: Potential methemoglobin former.
Antidote and Emergency Treatment · 2 items

For immediate first aid: Ensure that adequate decontamination has been carried out. If victim is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep victim quiet and maintain normal body temperature. Obtain medical attention. /Organic bases, amines, and related compounds/

For basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... Monitor for shock and treat if necessary ... Anticipate seizures and treat if necessary ... For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... Cover skin burns with sterile dressings after decontamination ... . /Organic bases, amines, and related compounds/

Regulatory information

TSCA RequirementsManufacturers and processors of meta-phenylenedimine or its sulfate salt are required to conduct health efffects, chemical fate and environmental effects testing under TSCA section 4.

Safety data

tsca
TSCA listed
ridadr
2811
hs_code
2921.51.5000
Signal word
Danger
Symbol(GHS)
GHS06,GHS08,GHS09
hazard_class
6.1

Chemistry & industry

Uses & manufacturing

Uses · 2 items

CIR ingredient: m-Phenylenediamine Sulfate

Not commercially produced; [HSDB]

General Manufacturing Information · 2 items

1,3-Benzenediamine, sulfate (1:1): ACTIVE

Not produced commercially.

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
江西益众化工有限公司15307925109 15350027073 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]

Related reactions

0 records

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