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1,4-Benzenediamine ethanedioate

HCID 44111
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
62654-17-5
Standard SMILES
Nc1ccc(N)cc1.O=C(O)C(=O)O
InChIKey
JBLFIYDHGYMNEJ-UHFFFAOYSA-N
Molecular formula
C8H10N2O4
Average molar mass
198.18 g/mol
Monoisotopic mass
198.0640568

Names & identifiers

Preferred name
1,4-Benzenediamine ethanedioate
IUPAC
benzene-1,4-diamine;oxalic acid
English name
AI3-00710
Molecular formula
C8H10N2O4
Molecular weight
198.18

Names & synonyms

1,4-Benzenediamine, ethanedioate (1:1)HSDB 6249p-phenylenediamine oxalate1,4-benzenediamine oxalate62654-17-5UNII-DJ1F4R673N1,4-BENZENEDIAMINE ETHANEDIOATEDTXSID60696121,4-BENZENEDIAMINE ETHANEDIOATE [HSDB]RefChem:73043DTXCID10434651,4Benzenediamine, ethanedioate (1:1)
Show more names
AI3-00710salt of/the/ oxalic acid1,4-PHENYLENEDIAMINE OXALATE
665-995-1DJ1F4R673NSCHEMBL6915099JBLFIYDHGYMNEJ-UHFFFAOYSA-NAKOS024336567Oxalic acid--benzene-1,4-diamine (1/1)Q27276421

Database identifiers

CAS
62654-17-5
PubChem CID
44111
DTXSID
DTXSID6069612
UNII
DJ1F4R673N
EC Number
665-995-1

Properties

Computed structural properties

Topological polar surface area
127 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
126

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

Physicochemical properties

FDA UNII
1 F4R673N · DJ1F4R673N
EPA Substance Registry System
1 · 1,4-Benzenediamine, ethanedioate (1:1) (62654-17-5)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H335-H319
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
TSCA
TSCA listed
Hazardous Substances Data
62654 · 62654-17-5(Hazardous Substances Data)

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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards Summary · 1 item

Potentially induces 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 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 · 1 item

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 ethanedioate is included on this list.

Hazard Classes and CategoriesSkin Irrit. 2 (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.
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 · 1 item

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 ethanedioate is included on this list.

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H335-H319
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazardous Substances Data
62654-17-5(Hazardous Substances Data)

Chemistry & industry

Uses & manufacturing

UsesNot commercially produced; [HSDB]
General Manufacturing Information · 2 items

1,4-Benzenediamine, ethanedioate (1:1): INACTIVE

1,4-Benzenediamine ethanedioate is not produced commercially.

Suppliers2 total

HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇(上海)贸易有限公司21-20338288 · [email protected]

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Compound notes

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