4-Chloro-1,3-benzenediamine sulfate

HCID 50109CAS 68239-80-5

基本情報

標準SMILES: Nc1ccc(Cl)c(N)c1.O=S(=O)(O)O
InChIKey: MQCUGDYVDRIJAG-UHFFFAOYSA-N
分子式: C6H9ClN2O4S
平均分子量: 240.67 g/mol
単同位体質量: 239.99715545

名称と識別子

優先名称: 4-Chloro-1,3-benzenediamine sulfate
IUPAC: 4-chlorobenzene-1,3-diamine;sulfuric acid
英語名: 4-chlorobenzene-1,3-diammonium sulphate
分子式: C6H9ClN2O4S
分子量: 240.66466

名称と別名

1,3-Benzenediamine, 4-chloro-, sulfate (1:1)68239-80-5HSDB 62364-CHLORO-1,3-BENZENEDIAMINE SULFATEm-Phenylenediamine,4-chloro-, sulfateE060V05K37DTXSID50713394-Chlorobenzene-1,3-diamine sulphate (1:1)EINECS 269-474-64-CHLOROBENZENE-1,3-DIAMMONIUM SULFATE4-CHLORO-1,3-BENZENEDIAMINE SULFATE [HSDB]RefChem:520710

名称をさらに表示

4-chlorobenzene-1,3-diammonium sulphate

DTXCID2045789mPhenylenediamine, 4chloro, sulfate4Chlorobenzene1,3diamine sulphate (1:1)1,3Benzenediamine, 4chloro, sulfate (1:1)EINECS 275-574-04-Chlorobenzene-1,3-diamine sulphate71501-45-6SCHEMBL8638598

データベース識別子

CAS: 68239-80-5、71501-45-6
PubChem CID: 50109
DTXSID: DTXSID5071339
UNII: E060V05K37
EC Number: 269-474-6、275-574-0

物性

構造計算による物性

極性表面積: 135 Å²
水素結合供与体数: 4
水素結合受容体数: 6
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 178

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

物理化学的性質

EPAの化学物質情報: 1 · 1,3-Benzenediamine, 4-chloro-, sulfate (1:1) (68239-80-5)

安全と法規制

危険有害性情報

Hazards SummaryEmergency treatment: Methemoglobinemia; [HSDB] See 4-Chloro-m-phenylenediamine.

Special Reports · 1 件

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)]

毒性情報

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Human Toxicity ExcerptsPOTENTIAL METHEMOGLOBIN FORMER

安全データ

tsca: TSCA listed
有毒物質データの: 68239-80-5(Hazardous Substances Data)

化学と産業

用途と製造

General Manufacturing Information1,3-Benzenediamine, 4-chloro-, sulfate (1:1): INACTIVE