2-クロロベンゼン-1,4-ジアミン

2-Chloro-p-Phenylenediamine

HCID 11998CAS 615-66-7

基本情報

標準SMILES
Nc1ccc(N)c(Cl)c1
InChIKey
MGLZGLAFFOMWPB-UHFFFAOYSA-N
分子式
C6H7ClN2
平均分子量
142.58 g/mol
単同位体質量
142.0297759

概要

2-chloro-1,4-phenylenediamine is a diamine that is 1,4-phenylenediamine substituted at position 2 by a chloro group. It has a role as a dye. It is a diamine and a member of monochlorobenzenes. It is functionally related to a 1,4-phenylenediamine. It is a conjugate base of a 2-chloro-1,4-phenylenediaminium.

名称と識別子

優先名称
2-Chloro-p-Phenylenediamine
IUPAC
2-chlorobenzene-1,4-diamine
現地名
2-クロロベンゼン-1,4-ジアミン
英語名
2-Chloro-1,4-diaminobenzene
分子式
C6H7ClN2
分子量
142.59

名称と別名

615-66-72-Chloro-1,4-diaminobenzene1,4-Benzenediamine, 2-chloro-Ursol Brown O2-Chloro-1,4-phenylenediamine2-CHLORO-P-PHENYLENEDIAMINE3-Chloro-4-aminoaniline1,4-Diamino-2-chlorobenzene2-Chloro-1,4-benzenediamineo-Chloro-p-phenylenediamine2-Chloro-4-phenylenediaminep-Phenylenediamine, 2-chloro-
名称をさらに表示
2-クロロ-1,4-ベンゼンジアミンウルソールブラウンO1-クロロ-2,5-ジアミノベンゼン2-クロロ-p-フェニレンジアミン2-クロロベンゼン-1,4-ジアミン4-アミノ-2-クロロアニリン2-クロロ-1,4-フェニレンジアミンoクロロpフェニレンジアミン1,4-ジアミノ-2-クロロベンゼンアミノ-クロロアニリン2-クロロ-1,4-ジアミノベンゼンci76065c.i.76065ursolbrownoTIMTEC-BB SBB0075753-chlor-p-fenylendiamin2-chlor-p-fenylendiamin4-Amino-2-chloroaniline2-chloro-4-benzenediamine2-chloro-p-phenylenediamin
C.I. 760653-Chloro-p-fenylendiaminW949BCC82RCI 76065DTXSID3043944CHEBI:76598RefChem:470353DTXCID1023944

データベース識別子

CAS
615-66-7
PubChem CID
11998
DTXSID
DTXSID3043944
ChEMBL
CHEMBL1619318
ChEBI
CHEBI:76598
UNII
W949BCC82R
EC Number
210-441-2
Nikkaji
J7.028I

物性

構造計算による物性

XLogP
1.6
極性表面積
52 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
0
重原子数
9

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Aromatic
Cosmetics · 2 件

Cosmetic ingredients (2-Chloro-p-Phenylenediamine) -> CIR (Cosmetic Ingredient Review)

Hair dyeing

Physical DescriptionSolid; [MSDSonline]
Collision Cross Section131.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0020284]

物理化学的性質

融点
62 · 62-66 °C
沸点
232.49 °C · 232.49°C (rough estimate)
比重(密度)
1.2124 · 1.2124 (rough estimate)
蒸気圧
0.274 Pa · 0.274Pa at 25℃
屈折率
1.521 · 1.5210 (estimate)
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

危険有害性情報

Regulatory Information · 3 件

Chemical: 1,4-Benzenediamine, 2-chloro-

Status: Cease Manufacture Update: 30-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17518

1,4-Benzenediamine, 2-chloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - 2-Chloro-1,4-benzenediamine: Human health tier II assessment
Hazards SummaryA reproductive effector and moderate eye irritant; [RTECS] Not a sensitizer in animal testing; Emergency treatment: see p-Phenylenediamine. [HSDB] An irritant; [MSDSonline]
Special Reports · 2 件

Final Report on the safety assessment of 2-chloro-p-phenylenediamine and 2-chloro-p-phenylenediamine sulfate. J Am Coll Toxicol 11(4) 521-30 (1992).

Bioassay of 2-Chlorophenylenediamine Sulfate for Possible Carcinogenicity (1978) Technical Rpt Series No. 113 DHEW Pub No. (NIH) 78-1368, U.S. Department of Health Education and Welfare, National Cancer Institute, Bethesda, MD 20014

Hazard Classes and Categories · 2 件

Acute Tox. 4 (100%)

Acute toxicity (ingestion) - category 4

毒性情報

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Non-Human Toxicity Excerpts · 2 件

2-CHLORO-P-PHENYLENEDIAMINE INCREASED TRANSITIONAL CELL HYPERPLASIA OF KIDNEY IN MALE & FEMALE RATS. IT HAD NO SIGNIFICANT NEOPLASTIC EFFECT AT THE 0.15 OR 0.3% LEVELS FED.

In an oral subchronic toxicity test using rats and mice, all male rats and one female rat died in the 1% concentration of 2-chloro-p-phenylenediamine dose group; at 0.3%, no rats or mice died but the mean body weight gain was depressed. In the mice, one of the males and none of the females died in the 1% dose group. In a test for ocular irritaion, 2.5% 2-chloro-p-phenylenediamine produced, at most, only mild conjunctival inflammation. ... not a sensitizer when assayed on abraded and intact skin.

National Toxicology Program Studies · 1 件

A bioassay for possible carcinogenicity of 2-chloro-p-phenylenediamine sulfate was conducted using Fischer 344 rats and B6C3F1 mice. 2-Chloro-p-phenylenediamine sulfate was administered in the feed, at either of two concentrations, to groups of 50 male and 50 female animals of each species. The dietary concentrations used in the chronic bioassay were 0.3 and 0.15% for the high and low dose rats, respectively, and 0.6 and 0.3% for the high and low dose mice, respectively. Compound administration was for 105 to 107 wk in rats, 87 wk in high dose mice, and 104-105 wk in low dose mice. The only groups observed during an untreated period after dosing were the high dose mice, observed for 18 wk after cmpd administration ceased. For each species, 20 animals of each sex were placed on test as controls. ... Under the conditions of this bioassay there was /no/ evidence that dietary administration of 2-chloro-p-phenylenediamine sulfate was carcinogenic to Fischer 344 rats or B6C3F1 mice. Levels of Evidence of Carcinogenicity: Male Rats: Negative; Female Rats: Negative; Male Mice: Negative; Female Mice: Negative. /2-Chlorophenylenediamine sulfate/

安全データ

wgk
3
tsca
TSCA listed
rtecs
SS8925000
hs_code
2921.51.5000
risk_code
22-36/37/38
化審法
(3)-267

化学と産業

用途と製造

Uses · 4 件

CIR ingredient: 2-Chloro-p-Phenylenediamine

Used as a component of hair dyes; Not commercially produced in the US; [HSDB]

Dressing Hair [Category: Other]

INGREDIENT IN HAIR DYES

U.S. Exports · 2 件

(1977) No Data

(1979) No Data

U.S. Imports · 2 件

(1978) 1.0X10+6 G-PRINCPL CUSTMS DISTS-SULFATE

(1979) 8.0X10+5 G-PRINCPL CUSTMS DISTS-SULFATE

U.S. Production · 2 件

(1977) NOT PRODUCED COMMERCIALLY IN US

(1979) NOT PRODUCED COMMERCIALLY IN US

Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information1,4-Benzenediamine, 2-chloro-: ACTIVE

応用分野

使用This compound had some uses in hair dye formulations.

調製方法

The compound is used in hair dye formulations. 2-Chloro-p- PDA sulfate was mutagenic in the Ames test.

サプライヤー50 社

北京华美互利生物化工010-56205725 · [email protected]
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 88552216 19032109277 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

補足説明

定義ChEBI: A diamine that is 1,4-phenylenediamine substituted at position 2 by a chloro group.

関連反応

1 件

関連ノート

読み込み中…