HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.9
  1. Home
  2. /Compound

1,4-Benzenediamine sulfate

HCID 27769
New noteNew reactionRequest quotesPrint preview
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
16245-77-5
Standard SMILES
Nc1ccc(N)cc1.O=S(=O)(O)O
InChIKey
UFPKLWVNKAMAPE-UHFFFAOYSA-N
Molecular formula
C6H10N2O4S
Average molar mass
206.22 g/mol
Monoisotopic mass
206.03612798

Names & identifiers

Preferred name
1,4-Benzenediamine sulfate
IUPAC
benzene-1,4-diamine;sulfuric acid
English name
1,4-Diaminebenzene sulfate
Molecular formula
C6H10N2O4S
Molecular weight
206.22

Names & synonyms

p-Phenylenediamine sulfate16245-77-51,4-Benzenediamine, sulfate (1:1)1,4-Benzenediamine, sulfateUNII-S7IGM30961HSDB 62561,4-BENZENEDIAMINE SULFATEEINECS 240-357-1COVASTYLE PPDSCOLOREX PPDS1,4-Benzenediamine sulfate (1:1)DTXSID6066028
Show more names
1,4-Diaminebenzene sulfate4-PHENYLENEDIAMINESULPHATE1,4-Diaminobenzene Sulfate-ring-D4
1,4-BENZENEDIAMINE SULFATE [HSDB]pPhenylenediamine sulfateRefChem:73044Benzene1,4diammonium sulphateDTXCID7035224P-PHENYLENEDIAMINE SULFATE [INCI]240-357-11,4-Phenylenediamine Sulfate

Database identifiers

CAS
16245-77-5、50994-40-6
PubChem CID
27769
DTXSID
DTXSID6066028
UNII
S7IGM30961
EC Number
240-357-1、635-353-5

Properties

Computed structural properties

Topological polar surface area
135 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
13
Formal charge
0
Complexity
136

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amines, Aromatic
Cosmetics · 2 items

Cosmetic ingredients (p-Phenylenediamine Sulfate) -> CIR (Cosmetic Ingredient Review)

Hair dyeing

Physical DescriptionWhite to off-white solid; [MSDSonline]

Physicochemical properties

Symbol(GHS)
8 · GHS08,GHS09,GHS06
Signal word
Danger
Hazard statements
311 · H311-H334-H331-H400-H301
Precautionary statements
261 · P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P261-P285-P304+P341-P342+P311-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P273-P391-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

This chemical does not meet GHS hazard criteria for 1.9% (1 of 53) of reports.

Danger

H301 (98.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, 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 53 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Hazard information

Regulatory InformationREACH registered substance: Benzene-1,4-diammonium sulphate (EC: 240-357-1)
Hazards Summary · 1 item

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 p-Phenylenediamine.

Special Reports · 1 item

USEPA; PHENYLENEDIAMINES; RESPONSE TO INTERAGENCY TESTING COMMITTEE; FED REGIST 47(5) 973 (1982). EVIDENCE IS GIVEN SUPPORTING TESTING OF THE CLASS OF COMPOUNDS PHENYLENEDIAMINES FOR THEIR TOXIC EFFECTS ON HUMAN HEALTH AND THE ENVIRONMENT. THE RESULTS OF TOXICITY TESTING OF 22 COMPOUNDS ARE TABULATED AS ARE THE EFFECTS FOR WHICH TESTING IS BEING CONSIDERED FOR 13 COMPOUNDS, AND THE USES OR POTENTIAL USES OF 47 PHENYLENEDIAMINES.

TSCA Requirements · 2 items

Chemistry & industry

Uses & manufacturing

Uses · 2 items

CIR ingredient: p-Phenylenediamine Sulfate

Not commercially available; [HSDB]

Household ProductsInformation on 5 consumer products that contain p-Phenylenediamine sulfate in the following categories is provided:
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information · 2 items

1,4-Benzenediamine, sulfate (1:1): ACTIVE

1,4-Benzenediamine sulfate is not commercially available.

Suppliers

Loading…

Open inquiries

Loading…

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 1,4-Benzenediamine sulfate is included on this list.

Manufacturers and processors of para-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 (98.1%)

Acute Tox. 3 (100%)

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 SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
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 Requirements · 2 items

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 1,4-Benzenediamine sulfate is included on this list.

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

Safety data

Signal word
Danger
Symbol(GHS)
GHS08,GHS09,GHS06
Hazard statements
H311-H334-H331-H400-H301
Precautionary statements
P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P261-P285-P304+P341-P342+P311-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P273-P391-P501