2,4-ジアミノ-6-メチルフェノール/塩酸,(1:x)

2,4-ジアミノ-6-メチルフェノール/塩酸,(1:x) · 2,4-diamino-6-methylphenol hydrochloride · 2,4-Diamino-6-methylphenol/hydrochloric acid,(1:x)

https://huagongshe.com/ja/chemical/47741

識別子と物理属性

CAS No.	65879-44-9
分子式	C7H11ClN2O
平均分子量	174.63 g/mol
単同位体質量	174.0559907 g/mol
SMILES	Cc1cc(N)cc(N)c1O.Cl
InChIKey	KFKLSCXTXRXTCC-UHFFFAOYSA-N
PubChem CID	47741
EC No.	265-960-7
DTXSID	DTXSID5070365
現地名	2,4-ジアミノ-6-メチルフェノール/塩酸,(1:x)

化学・物理的性質

極性表面積	72.3
水素結合供与体数	4
水素結合受容体数	3
回転可能結合数	0
重原子数	11
形式電荷	0
複雑度	118
物質分類	Nitrogen Compounds -> Amino Phenols
EPAの化学物質情報	4,6-Diamino-o-cresol hydrochloride (65879-44-9)

安全性と法規制

有害性の概要	Emergency treatment: Methemoglobinemia[HSDB] See 2,4-Diamino-6-methylphenol.
有害作用	Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect
Non-Human Toxicity Excerpts	THE IP ADMIN OF 4,6-DIAMINO-O-CRESOL (33 MG/KG) OR 4,6-DIAMINO-2-SEC-BUTYLPHENOL (43 MG/KG) PRODUCED A LETHAL METHEMOGLOBINEMIA WITHIN 15-20 MINUTES. THE INTRARUMINAL ADMIN INDUCED A LESS DRAMATIC METHEMOGLOBINEMIA. HEMOLYSIS & ACUTE NEPHROSIS WERE OBSERVED IN A PROLONGED EXPERIMENT. APPARENTLY, THE DIAMINOPHENOL METABOLITES ARE RESPONSIBLE FOR THE METHEMOGLOBIN FORMATION IN DINITROPHENOL (DNOC OR DNBP) POISONINGS.2-METHYL-4,6-DINITROPHENOL SHOWED HIGHER TOXICITY TO SHEEP THAN 2-(1-METHYLPROPYL)-4,6-DINITROPHENOL FOLLOWING ORAL ADMIN (70 MG/KG)HOWEVER, DYSPNEA & HYPERTHERMIA WERE CAUSED BY THEIR RESPECTIVE DIAMINO METABOLITES, 2-METHYL-4,6-DIAMINOPHENOL & 2-(1-METHYLPROPYL)-4,6-DIAMINOPHENOL. THE METABOLITES ALSO CAUSED METHEMOGLOBINEMIA, HYPOTHERMIA, & HEMOCONCENTRATION.
TSCA 収載状態	TSCA listed
有害物質データ	65879-44-9(Hazardous Substances Data)

CAS No.

65879-44-9

分子式

C7H11ClN2O

平均分子量

174.63 g/mol

単同位体質量

174.0559907 g/mol

SMILES

Cc1cc(N)cc(N)c1O.Cl

InChIKey

KFKLSCXTXRXTCC-UHFFFAOYSA-N

PubChem CID

47741

EC No.

265-960-7

DTXSID

DTXSID5070365

現地名

2,4-ジアミノ-6-メチルフェノール/塩酸,(1:x)

極性表面積

72.3

水素結合供与体数

水素結合受容体数

回転可能結合数

重原子数

形式電荷

複雑度

118

物質分類

Nitrogen Compounds -> Amino Phenols

EPAの化学物質情報

4,6-Diamino-o-cresol hydrochloride (65879-44-9)

安全性と法規制

有害性の概要

Emergency treatment: Methemoglobinemia[HSDB] See 2,4-Diamino-6-methylphenol.

有害作用

Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect

Non-Human Toxicity Excerpts

THE IP ADMIN OF 4,6-DIAMINO-O-CRESOL (33 MG/KG) OR 4,6-DIAMINO-2-SEC-BUTYLPHENOL (43 MG/KG) PRODUCED A LETHAL METHEMOGLOBINEMIA WITHIN 15-20 MINUTES. THE INTRARUMINAL ADMIN INDUCED A LESS DRAMATIC METHEMOGLOBINEMIA. HEMOLYSIS & ACUTE NEPHROSIS WERE OBSERVED IN A PROLONGED EXPERIMENT. APPARENTLY, THE DIAMINOPHENOL METABOLITES ARE RESPONSIBLE FOR THE METHEMOGLOBIN FORMATION IN DINITROPHENOL (DNOC OR DNBP) POISONINGS.2-METHYL-4,6-DINITROPHENOL SHOWED HIGHER TOXICITY TO SHEEP THAN 2-(1-METHYLPROPYL)-4,6-DINITROPHENOL FOLLOWING ORAL ADMIN (70 MG/KG)HOWEVER, DYSPNEA & HYPERTHERMIA WERE CAUSED BY THEIR RESPECTIVE DIAMINO METABOLITES, 2-METHYL-4,6-DIAMINOPHENOL & 2-(1-METHYLPROPYL)-4,6-DIAMINOPHENOL. THE METABOLITES ALSO CAUSED METHEMOGLOBINEMIA, HYPOTHERMIA, & HEMOCONCENTRATION.

TSCA 収載状態

TSCA listed

有害物質データ

65879-44-9(Hazardous Substances Data)