o-Dianisidine dihydrochloride

HCID 62311CAS 20325-40-0

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1cc(-c2ccc(N)c(OC)c2)ccc1N.Cl.Cl
InChIKey: UXTIAFYTYOEQHV-UHFFFAOYSA-N
分子式: C14H16N2O2.2HCl
平均分子量: 317.2 g/mol
単同位体質量: 316.07453318

概要

3,3'-Dimethoxybenzidine dihydrochloride can cause cancer according to The National Toxicology Program.

名称と識別子

優先名称: o-Dianisidine dihydrochloride
IUPAC: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;dihydrochloride

名称と別名

20325-40-03,3'-DIMETHOXYBENZIDINE DIHYDROCHLORIDEo-Dianisidine dihydrochloridedianisidine dihydrochlorideCCRIS 998QV96QA6UKKEINECS 243-737-5Benzidine, 3,3'-dimethoxy-, dihydrochloride[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-, dihydrochloride3,3'-Dimethoxy-4,4'-diaminobiphenyl dihydrochloride3,3'-Dimethoxybiphenyl-4,4'-ylenediammonium dichloride3,3'-Dimethoxy-(1,1-biphenyl)-4,4'-diamine dihydrochloride

名称をさらに表示

EC 243-737-5(1,1'-Biphenyl)-4,4'-diamine, 3,3'-dimethoxy-, dihydrochloride(1,1'-Biphenyl)-4,4'-diamine, 3,3'-dimethoxy-, hydrochloride (1:2)[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-, hydrochloride (1:2)ci disperse black 6 dihydrochlorideRefChem:855243o-Dianisidine (dihydrochloride)C.I. Disperse Black 6 dihydrochloride

データベース識別子

CAS: 20325-40-0
PubChem CID: 62311
DTXSID: DTXSID1020485
ChEMBL: CHEMBL1868992
UNII: QV96QA6UKK
EC Number: 243-737-5

物性

構造計算による物性

極性表面積: 70.5 Å²
水素結合供与体数: 4
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 20
形式電荷: 0
複雑度: 236

実験および物理化学的性質

Solubility10 to 50 mg/mL at 68 °F (NTP, 1992)

Melting Point · 2 件

514 °F (NTP, 1992)

137 °C

Vapor Pressure0.0000000088 [mm Hg] @25 °C

Physical Description · 2 件

3,3'-dimethoxybenzidine dihydrochloride is an off-white powder. (NTP, 1992)

Wet Solid; CBI

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Not Classified

危険有害性情報

Regulatory Information · 4 件

Hazard Traits - Carcinogenicity

[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-, hydrochloride (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of [1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-, hydrochloride (1:2) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 04-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16226

[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-, dihydrochloride: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsFlash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)

Reactive GroupEthers

Reactivity Profile3,3'-DIMETHOXYBENZIDINE DIHYDROCHLORIDE is an ether substituted acidic organic salt. Reacts weakly as a acid to neutralize bases. May react with strong oxidizing agents or strong reducing agents.

Air and Water ReactionsWater soluble.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全と保護具

Fire FightingFires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Protective Action Criteria (PAC) · 3 件

5.8 [mg/m3]

63 [mg/m3]

380 [mg/m3]

Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

毒性情報

Carcinogen Classification · 6 件

3,3'-Dimethoxybenzidine Dihydrochloride

TR-372: Toxicology and Carcinogenesis Studies of 3,3'-Dimethoxybenzidine Dihydrochloride (CASRN 20325-40-0) in F344/N Rats (Drinking Water Studies) (1990 )

06/27/89

Clear Evidence

Chemical Not Tested in Species/Sex

化学と産業

用途と製造

U.S. Production2023: 75,000 - <500,000 lb

Consumer UsesPigment

Industry UsesPigment

General Manufacturing Information · 2 件

Printing Ink Manufacturing

[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-, hydrochloride (1:2): ACTIVE