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1,3-フェニレンジアミン二塩酸塩

M-phenylenediamine dihydrochloride

HCID 10941
ノート反応
基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
541-69-5
標準SMILES
Cl.Cl.Nc1cccc(N)c1
InChIKey
SVTOYMIYCMHPIV-UHFFFAOYSA-N
分子式
C6H8N2.2ClH
平均分子量
181.06 g/mol
単同位体質量
180.0221037

名称と識別子

優先名称
M-phenylenediamine dihydrochloride
IUPAC
benzene-1,3-diamine;dihydrochloride
現地名
1,3-フェニレンジアミン二塩酸塩
英語名
Benzene-1,3-diamine dihydrochloride
分子式
C6H10Cl2N2
分子量
181.06

名称と別名

541-69-5M-phenylenediamine dihydrochloridebenzene-1,3-diamine dihydrochloride1,3-Phenylenediamine dihydrochloride1,3-BENZENEDIAMINE DIHYDROCHLORIDE1,3-Benzenediamine, dihydrochloride1,3-Diaminobenzene dihydrochloridem-Aminoaniline dihydrochloride3-Aminoaniline dihydrochloridem-Phenylenediamine.2HClbenzene-1,3-diamine;dihydrochlorideDTXSID4021139
名称をさらに表示
1,3-フェニレンジアミン二塩酸塩二塩酸mフェニレンジアミンM-フェニレンジアミン二塩酸塩m-フェニレンジアミン 二酸1,3-ジアミノベンゼン二塩酸塩1,3-フェニレンジアミン=二塩酸塩M‐フェニレンジアミン二塩酸塩(塩酸M‐フェニレンジアミン)M-フェニレンジアミン 二塩酸塩m-フェニレンジアミン二塩酸塩, 98%m-フェニレンジアミン二塩酸塩(塩酸m-フェニレンジアミン)M-PHENYLENEDIAMINE HYDROCHLORIDEusafek-206M-Phenylenediamine HCLM-PHENYLENEDIAMINE 2HCLBenzene-1,3-diamine2HCL3-Aminoaniline hydrochloridem-Phenylenediaminedihydrochlm-aminoanilinedihydrochlorideBenzene twoaMine hydrochloride
SE5RLO93TGMFCD000129751,3-Benzenediamine, hydrochloride (1:2)benzene-1,3-diamine, chloride, chloride4-phenylenediamine dihydrochlorideSCHEMBL61460DTXCID801139SCHEMBL9847456

データベース識別子

CAS
541-69-5
PubChem CID
10941
DTXSID
DTXSID4021139
ChEMBL
CHEMBL3182234
UNII
SE5RLO93TG
EC Number
208-790-0

物性

構造計算による物性

極性表面積
52 Ų
水素結合供与体数
4
水素結合受容体数
2
回転可能結合数
0
重原子数
10
形式電荷
0
複雑度
64.9

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Aromatic
Color/FormWhite or slightly red crystalline powder
SolubilityFreely soluble in water; soluble in alcohol
DecompositionWhen heated to decomposition it emits very toxic fumes of HCl and nitrogen oxides.
Physical DescriptionOff-white powder; [MSDSonline]

物理化学的性質

融点
260 °C · 260°C (dec.)
外見
結晶性粉末
色
ライトベージュ~グレーベージュ
水溶解度
溶けやすい
Merck
14 · 14,7283
BRN
3911748 · 3911748
安定性
安定。強力な酸化剤とは相容れない。
InChI
1S/C6H8N2.2ClH/c7-5-2-1-3-6(8)4-5;;/h1-4H,7-8H2;2*1H
InChIKey
SVTOYMIYCMHPIV-UHFFFAOYSA-N
SMILES
Cl.Cl.Nc1cccc(N)c1
CAS データベース
541 · 541-69-5(CAS DataBase Reference)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory InformationChemical: 1,3-Benzenediamine, dihydrochloride
Other Safety InformationIMAP assessments - 1,3-Benzenediamine, dihydrochloride: Human health tier II assessment
Hazards Summary · 1 件

Has the potential to form methemoglobin; Emergency treatment: Paraphenylenediamine; In sensitized individuals, paraphenylenediamine may cause allergic contact dermatitis following application as a hair dye and asthma following inhalation; Following ingestion, can cause angioneurotic edema, methemoglobinemia, acute tubular necrosis, and hepatotoxicity; An adult died after ingestion of 3 grams of p-phenylenediamine; Another adult who ingested 1800 mg developed angioneurotic edema and acute renal failure; [HSDB] An eye irritant; May cause skin sensitization; [eChemPortal: ESIS] An irritant; Can be absorbed through skin; May cause skin sensitization; [MSDSonline] See p-Phenylenediamine.

Special Reports · 1 件

USEPA; PHENYLENEDIAMINES; RESPONSE TO INTERAGENCY TESTING COMMITTEE; FED REGIST 47(5) 973 (1982). 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.

化学と産業

用途と製造

Uses · 3 件

Used in hair dyes and as an analytical reagent for nitrite; No known commercial production in the US currently or in the past; [HSDB]

Dressing Hair [Category: Other]

...USED CHIEFLY AS AN ANALYTICAL REAGENT FOR NITRITE. IT IS ALSO USED IN HAIR-DYE FORMULATIONS TO PRODUCE GOLDEN-BLOND SHADES ON THE HAIR.

General Manufacturing Information · 2 件

1,3-Benzenediamine, hydrochloride (1:2): ACTIVE

NO EVIDENCE WAS FOUND THAT THE HYDROCHLORIDE HAS EVER BEEN PRODUCED COMMERCIALLY IN THE US.

応用分野

使用m-Phenylenediamine dihydrochloride is used in the synthesis of bis(thiazolidone) and bis(thiohydantoin) derivatives. It can be used to increase the pore size in the fabrication of poly(aniline-co-1,3-phenylenediamine) cryogels.

上流・下流製品情報

下流製品

1,3-ジヨードベンゼン

サプライヤー64 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]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

関連反応

1 件
反応記録を作成
HRID 636289 の反応式
HRID 636289反応物としてuspto-grants-2001_02

化合物ノート

読み込み中…

このページの内容基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
EPAの化学物質情報
m-Phenylenediamine dihydrochloride (541-69-5)

化学的性質

化学的特性white to slightly red crystalline powder

TSCA Requirements · 1 件

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 1,3-Benzenediamine dihydrochloride is included on this list.

Hazard Classes and Categories · 4 件

Acute Tox. 3 (100%)

Germ cell mutagenicity - category 2

Acute toxicity (Oral) - Category 3

Muta. 2

安全と保護具

Disposal Methods · 1 件

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

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.
TSCA Test Submissions · 2 件

m-Phenylenediamine dihydrochloride (CAS # 541-69-5) was evaluated for carcinogenicity in mice (25/sex/treatment group, strain unspecified) exposed to dietary concentrations of 0, 2000 and 4000 ppm for 18 months. Beginning late in treatment (at least 8 months), mice were periodically sacrificed for necropsy and evaluation of gross pathology (protocol was not provided). Those mice displaying gross pathology and any late term (8 months or more after initiation of treatment) non-autolyzed lethalities were used for histological determinations of carcinogenicity. Mice remaining after serial sacrifice were kept until death (as long as 19 months) for observation of clinical toxicity and terminal histopathological evaluation. Study mortality was 100% in high- and low-dose groups of both sexes at 15 months and 19 months respectively. Survival was also noted to be markedly diminished and mean bodyweights were reduced at 12 months in both high-dose male and female mice relative to controls. With 16/25, 10/25 and 15/25 of control mice, and male high and low dose mice effectively available for carcinogenicity analysis respectively, no significant increased incidence of tumors was identified relative to controls: Investigators considered number of mice with tumors, number of tumors, mice with multiple tumors, and type tumor incidence relative to those values in controls. Only in female low-dose mice (13 final effective number) was marked increased incidence of tumors relative to controls (13 final effective number) observed: Female low-dose mice were found with 31% lung tumors relative to 23% incidence in control mice and 8% hepatomas relative to 0 incidence in controls. Amyloid bodies were noted from 12 months in both low- and high-dose male and female mice.

m-Phenylenediamine dihydrochloride (CAS # 541-69-5) was evaluated for carcinogenicity in male rats (25/treatment group, strain unspecified) exposed to dietary concentrations of 0, 1000 and 2000 ppm for 18 months. Beginning late in treatment, animals were periodically sacrificed for necropsy and evaluation of gross pathology (protocol was not provided); A first tumor was noted at 15 weeks. Those rats displaying gross pathology and any late term non-autolyzed lethalities were used for histological determinations of carcinogenicity. Rats remaining after serial sacrifice were kept until death (as long as 26 months) for observation of clinical toxicity and terminal histopathological evaluation. Study mortality was 100% in high-dose rats at 15 months. Low-dose rats showed recovery of some lost bodyweight at Week 20 after discontinuation of treatment. With 111/150, 15/25 and 17/25 of control rats, and high- and low-dose rats effectively available for carcinogenicity analysis respectively, both low- and high-dose rats were found with a higher incidence of GI and liver tumors relative to controls. Investigators considered number of mice with tumors, number of tumors, mice with multiple tumors, and type tumor incidence relative to those values in controls. Treated rats showed generally lower incidence (40% and 41% of high and low dose rats respectively) carcinogenicity than did controls (59%).

Human Toxicity Excerpts · 2 件

/SRP/: POTENTIAL METHEMOGLOBIN FORMER.

Poison by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. Mutation data reported.

Non-Human Toxicity Excerpts · 1 件

4 GROUPS, EACH OF 5 WISTAR-KING RATS WERE TREATED...WITH...META-PHENYLENEDIAMINE HYDROCHLORIDE @ DOSE OF 12 OR 24 MG/KG BODY WT. ...INJECTED SUBCUTANEOUSLY INTO THE BACK ON ALTERNATE DAYS, FOR 5 MO IN THE HIGHER DOSE GROUPS AND FOR 11 MO IN THE LOWER DOSE GROUPS. ... FIBROSARCOMAS WERE PRODUCED IN ONE RAT IN THE GROUP TREATED WITH...24 MG/KG BODY WT... NO TUMORS WERE FOUND IN ANY OF THE OTHER GROUPS NOR IN THE CONTROL GROUPS.

Evidence for CarcinogenicityNo data are available in humans. Inadequate evidence of carcinogenicity in animals. OVERALL EVALUATION: Group 3: The agent is not classifiable as to its carcinogenicity to humans. /M-Phenylenediamine/
Antidote and Emergency Treatment · 2 件

For immediate first aid: Ensure that adequate decontamination has been carried out. If victim is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep victim quiet and maintain normal body temperature. Obtain medical attention. /Organic bases, amines, and related compounds/

For basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... Monitor for shock and treat if necessary ... Anticipate seizures and treat if necessary ... For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... Cover skin burns with sterile dressings after decontamination ... . /Organic bases, amines, and related compounds/

Non-Human Toxicity ValuesLD50 Mouse sc 120 mg/kg body weight

法規制情報

TSCA Requirements · 1 件

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 1,3-Benzenediamine dihydrochloride is included on this list.

安全データ

F
8-9-23
wgk
3
tsca
TSCA listed
rtecs
SS9800000
ridadr
UN 2811 6.1/PG 3
hs_code
29215900
risk_code
23/24/25-36-40-43-50/53-68
化審法
(3)-185
hazard_code
T,N
safety_code
28-36/37-45-60-61-28A
hazard_class
6.1
packing_group
III
毒劇物取締法
劇物
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Muta. 2Skin Sens. 1
ストレージクラス
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
有毒物質データの
541-69-5(Hazardous Substances Data)
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
超彩实业有限公司0574-83851061 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
成都润泽本土化工有限公司13096311329 028-88469284 616445927 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
Henan Bao Enluo International TradeCo.,LTD+86-17331933971 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
上海紫一试剂厂4001650900 · [email protected]
山东小野化学股份有限公司0539-6362799 20)
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
巴师傅(上海)生物医药科技有限公司60662071 18117346937 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
武汉裕清嘉衡药业有限公司027-83855389 13545340383 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
Aladdin Scientific[email protected]
陕西衡瀚新材料有限公司15719109892 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
山东明德生物技术有限公司18560864701 · [email protected]