Basic information
- CAS
615-46-3- Standard SMILES
Cl.Cl.Nc1ccc(N)c(Cl)c1- InChIKey
GJCLKJLIKKFYAW-UHFFFAOYSA-N- Molecular formula
- C6H9Cl3N2
- Average molar mass
- 215.5 g/mol
- Monoisotopic mass
- 213.983131
Names & identifiers
- Preferred name
- 2-Chloro-1,4-benzenediamine dihydrochloride
- IUPAC
- 2-chlorobenzene-1,4-diamine;dihydrochloride
- English name
- 2-Chloro-p-phenylenediamine dihydrochloride
- Molecular formula
- C6H9Cl3N2
- Molecular weight
- 215.51
Names & synonyms
2-Chloro-p-phenylenediamine dihydrochlorideHSDB 6246MJG61MCR0HNSC 6073EINECS 210-427-6p-Phenylenediamine, 2-chloro-, dihydrochloride1,4-Benzenediamine, 2-chloro-, dihydrochloride2-CHLORO-1,4-BENZENEDIAMINE DIHYDROCHLORIDE1,4-Benzenediamine, 2-chloro-, hydrochloride (1:2)DTXSID9060651NSC-6073RefChem:468234
Show more names
TIMTEC-BB SBB0033972-Chloro-4-phenylenediamine2HCl2-chlorobenzene-1,4-diammonium dichloride4-benzenediamine,2-chloro-dihydrochlorideCHLORO-P-PHENYLENEDIAMINE DIHYDROCHLORIDE2-chloro-p-phenylenediamindihydrochloride2-Chloro-4-phenylenediaminedihydrochloride2-chloro-1,4-benzenediaminedihydrochloride
DTXCID40430602Chloropphenylenediamine dihydrochloridepPhenylenediamine, 2chloro, dihydrochloride1,4Benzenediamine, 2chloro, dihydrochloride615-46-32-chlorobenzene-1,4-diamine dihydrochloride2-chlorobenzene-1,4-diamine;dihydrochloride2-chlorobenzene-1,4-diamine, chloride, chloride
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 97.1
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
Physical DescriptionTan to brownish-purple crystalline powder; [MSDSonline]
Physicochemical properties
- FDA UNII
- 61 MCR0H · MJG61MCR0H
- EPA Substance Registry System
- 1 · 1,4-Benzenediamine, 2-chloro-, hydrochloride (1:2) (615-46-3)
- Safety Statements
- 24 · 24/25
- TSCA
- TSCA listed
- Hazardous Substances Data
- 615 · 615-46-3(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.
Hazard information
Hazards SummaryEmergency treatment: Methemoglobinemia; [HSDB] May cause irritation; [MSDSonline] See 2-Chloro-p-phenylenediamine.
Special Reports
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.[UNITED STATES EPA; PHENYLENEDIAMINES; RESPONSE TO INTERAGENCY TESTING COMMITTEE; FED REGIST 47(5) 973 (1982)]
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Human Toxicity ExcerptsPOTENTIAL METHEMOGLOBIN FORMER
Safety data
- tsca
- TSCA listed
- safety_code
- 24/25
- Hazardous Substances Data
- 615-46-3(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenediamine, 2-chloro-, hydrochloride (1:2): INACTIVE
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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