2-クロロ-1,4-フェニレンジアミン 硫酸塩

2-Chloro-p-phenylenediamine sulfate

HCID 22584CAS 61702-44-1

基本情報

標準SMILES
Nc1ccc(N)c(Cl)c1.O=S(=O)(O)O
InChIKey
GQFGHCRXPLROOF-UHFFFAOYSA-N
分子式
C6H9ClN2O4S
平均分子量
240.67 g/mol
単同位体質量
239.9971556

名称と識別子

優先名称
2-Chloro-p-phenylenediamine sulfate
IUPAC
2-chlorobenzene-1,4-diamine;sulfuric acid
現地名
2-クロロ-1,4-フェニレンジアミン 硫酸塩
英語名
2-Chloro-1,4-phenylenediamine sulfate
分子式
C6H9ClN2O4S
分子量
240.66

名称と別名

2-chlorobenzene-1,4-diamine sulfate2-Chloro-p-phenylenediamine sulfate2-Chloro-1,4-phenylenediamine sulfate6219-71-2Fourrine SO1,4-Benzenediamine, 2-chloro-, sulfateFourrine 812-Cl-p-PDRenal SO2-CHLORO-1,4-BENZENEDIAMINE SULFATE2-Chlorobenzene-1,4-diammonium sulphateC.I. Oxidation Base 13A
名称をさらに表示
2-クロロ-1,4-フェニレンジアミン 硫酸塩硫酸oクロロpフェニレンジアミン2-クロロ-P-フェニレンジアミン硫酸塩2-クロロ-1,4-フェニレンジアミン硫酸塩1,4-ジアミノ-2-クロロベンゼン硫酸塩2-クロロ-p-フェニレンジアミン硫酸塩, 95%硫酸オルトクロルパラフェニレンジアミン2-クロロ-1,4-ベンゼンジアミン・硫酸塩2-クロロ-p-フェニレンジアミン・硫酸塩1-クロロ-2,5-ジアミノベンゼン・硫酸塩2-クロロ-1,4-フェニレンジアミン硫酸塩標準品JAROCOL CPPDSDithranol Impurity 72,5-DIAMINOCHLOROBENZENE SULFATE1,4-Diamino-2-chlorobenzenesulfate2-CHLORO-1,4-DIAMINOBENZENE SULFATE1-CHLORO-2,5-DIAMINOBENZENE SULFATE2-Chloro-p-phenlenediamine sulfate2-Chloro-4-phenylenediamine sulfate
renal brown soCCRIS 1452-Chloro p-phenylenediamine sulphatep-Phenylenediamine, 2-chloro-, sulfateC.I. 760663-Chloro-4-aminoaniline sulfateHSDB 6247NCI-C03316

データベース識別子

CAS
61702-44-1、6219-71-2
PubChem CID
22584
DTXSID
DTXSID0020284
ChEMBL
CHEMBL1391326
ChEBI
CHEBI:76597
UNII
851056T3RC
EC Number
228-291-1、262-915-3

物性

構造計算による物性

極性表面積
135 Ų
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

実験および物理化学的性質

Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Melting Point484 to 487 °F (NTP, 1992)
Physical Description2-chloro-p-phenylenediamine sulfate appears as light gray or lavender powder. (NTP, 1992)

物理化学的性質

融点
251 · 251-253 °C
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature
溶解性
DMSO(少々)、水(少々)
外見
個体
色
オフホワイトからペールグレー
水溶解度
0.1 g/100 · <0.1 g/100 mL で 21 ºC

化学的性質

化学的特性White to off-white powder

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H301 (12.2%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (12.2%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (85.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (87.8%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (14.3%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (12.2%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (85.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 3 件

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

Status: Cease Manufacture Update: 04-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21658

1,4-Benzenediamine, 2-chloro-, sulfate: 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
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: This compound may cause irritation.;ACUTE/CHRONIC HAZARDS: This compound may cause irritation on contact. (NTP, 1992)
Hazards SummaryInsufficient evidence of carcinogenicity in rats or mice; Emergency treatment: Methemoglobinemia; [HSDB] See 2-Chloro-p-phenylenediamine.

安全と保護具

Fire FightingFires involving this material can 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.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

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 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.;STORAGE PRECAUTIONS: You should store this material under ambient temperatures. (NTP, 1992)

Isolation and Evacuation · 1 件

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

毒性情報

Adverse Effects · 1 件

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.;Methemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

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
Ongoing Test Status · 1 件

The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. /2-Chloro-p-phenylenediamine sulfate (1:1)/ [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=61702-44-1]

Human Toxicity ExcerptsPOTENTIAL METHEMOGLOBIN FORMER
Carcinogen Classification · 6 件

2-Chloro-p-phenylenediamine sulfate

TR-113: Bioassay of 2-Chloro-p-phenylenediamine Sulfate for Possible Carcinogenicity (CASRN 61702-44-1) (1978 )

04/26/78

No Evidence

No Evidence

No Evidence

Non-Human Toxicity Excerpts · 1 件

A BIOASSAY FOR POSSIBLE CARCINOGENICITY OF 2-CHLORO-P-PHENYLENEDIAMINE SULFATE WAS CONDUCTED USING RATS AND MICE. THE COMPOUND WAS ADMINISTERED IN THE FEED, AT EITHER OF 2 CONCENTRATIONS, TO GROUPS OF MALE AND FEMALE ANIMALS OF EACH SPECIES. THE DIETARY CONCENTRATIONS USED 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 105-107 WEEKS IN RATS, 87 WEEKS IN HIGH DOSE MICE, AND 104-105 WEEKS IN LOW DOSE MICE. THERE WAS INSUFFICIENT EVIDENCE THAT DIETARY ADMINISTRATION WAS CARCINOGENIC TO RATS OR MICE.

法規制情報

Regulatory Information · 3 件

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

Status: Cease Manufacture Update: 04-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21658

1,4-Benzenediamine, 2-chloro-, sulfate: 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.

安全データ

wgk
3
rtecs
CZ1581000
ridadr
2811
hs_code
29215119
risk_code
20/21-36/37/38-33
hazard_code
Xn

化学と産業

用途と製造

UsesCIR ingredient: 2-Chloro-p-Phenylenediamine Sulfate
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information1,4-Benzenediamine, 2-chloro-, sulfate (1:?): ACTIVE
応用分野 · 3 件

用途有機合成原料。

使用2-Chloro-p-phenylenediamine monosulfate (2-Chloro-1,4-diaminobenzene monosulfate) may be used in chemical synthesis studies.

一般的な説明Light gray or lavender powder.

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [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]

補足説明

定義ChEBI: An arylammonium sulfate salt obtained by combining 2-chloro-1,4-phenylenediamine with one molar equivalent of sulfuric acid.

関連反応

2 件

関連ノート

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