Basic information
- CAS
20103-09-7- Standard SMILES
Nc1cc(Cl)c(N)cc1Cl- InChIKey
QAYVHDDEMLNVMO-UHFFFAOYSA-N- Molecular formula
- C6H6Cl2N2
- Average molar mass
- 177.03 g/mol
- Monoisotopic mass
- 175.9908036
Names & identifiers
- Preferred name
- 2,5-Dichloro-1,4-benzenediamine
- IUPAC
- 2,5-dichlorobenzene-1,4-diamine
- English name
- 2,5-Dichlorobenzene-1,4-diamine
- Molecular formula
- C6H6Cl2N2
- Molecular weight
- 177.03
Names & synonyms
2,5-Dichlorobenzene-1,4-diamine20103-09-72,5-Dichloro-p-phenylenediamine1,4-Diamino-2,5-dichlorobenzene1,4-Benzenediamine, 2,5-dichloro-2,5-DICHLORO-1,4-BENZENEDIAMINEHSDB 6248p-Phenylenediamine, 2,5-dichloro-1,4-Diamino-3,6-dichlorobenzene9CCW77BAXPEINECS 243-512-1Benzene, 2,5-dichloro, 1,4-diamino
Show more names
2,5-DICHLORO-1,4-PHENYLENEDIAMINE2-CHLORO PPDCCRIS 226AURORA KA-73682,5 DICHLORO PPDWLN: ZR DZ BG FGBUTTPARK 100\01-20DICHLOROPHENYLENEDIAMINE
2,5-Dichlor-1,4-fenylendiamin [Czech]2,5-Dichlor-1,4-fenylendiaminDTXSID80665574-AMINO-2,5-DICHLOROANILINE2,5-DIAMINO-1,4-DICHLOROBENZENE2,5-DICHLORO-1,4-P-PHENYLENEDIAMINE2,5-DICHLORO-1,4-BENZENEDIAMINE [HSDB]2,5-DICHLOR-1,4-FENYLENDIAMIN (CZECH)
Database identifiers
- CAS
20103-09-7- PubChem CID
- 29949
- DTXSID
DTXSID8066557- ChEMBL
CHEMBL1450518- UNII
- 9CCW77BAXP
- EC Number
- 243-512-1
- Nikkaji
- J50.196D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 106
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
Color/FormWHITE PRISMS
SolubilitySLIGHTLY SOLUBLE IN WATER AND ALCOHOL
Melting Point170 °C
Physical DescriptionWhite solid; [HSDB] Powder; [MSDSonline]
Physicochemical properties
- Melting point
- 164 · 164-166 °C (dec.)(lit.)
- Boiling point
- 291.88 °C · 291.88°C (rough estimate)
- Density
- 1.4668 · 1.4668 (rough estimate)
- refractive index
- 1.64 · 1.6400 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 3.16 · 3.16±0.10(Predicted)
- form
- powder to crystal
- color
- White to Brown
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
This chemical does not meet GHS hazard criteria for 4.2% (2 of 48) of reports.
Warning
H302 (95.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2,5-dichlorobenzene-1,4-diamine (EC: 243-512-1)
Hazards SummaryEmergency treatment: Methemoglobinemia; [HSDB] An irritant; [MSDSonline]
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)]
Hazard Classes and CategoriesAcute Tox. 4 (95.8%)
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenediamine, 2,5-dichloro-: ACTIVE
Applications
Uses2,5-Dichlorobenzene-1,4-diamine is used as an intermediate in organic synthesis. In the dye industry, it is used to synthesize the azo pigment Cromophtal Yellow 6G; it can also be used as a raw material for polyurethane synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Related reactions
4 records
Compound notes
Loading…