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化工社化工社 化学情報印刷レポート · 研究参考用
HCID 10941作成日：2026年11月1日

1,3-フェニレンジアミン二塩酸塩

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

https://huagongshe.com/ja/chemical/10941

1,3-フェニレンジアミン二塩酸塩 の分子構造式

識別子と物理属性

CAS No.541-69-5
分子式C6H8N2.2ClH
平均分子量181.06 g/mol
単同位体質量180.0221037 g/mol
SMILESCl.Cl.Nc1cccc(N)c1
InChIKeySVTOYMIYCMHPIV-UHFFFAOYSA-N
PubChem CID10941
ChEMBLCHEMBL3182234
EC No.208-790-0
DTXSIDDTXSID4021139
現地名1,3-フェニレンジアミン二塩酸塩

化学・物理的性質

極性表面積52
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
物質分類Nitrogen Compounds -> Amines, Aromatic
Color/FormWhite or slightly red crystalline powder
溶解度Freely soluble in watersoluble in alcohol溶けやすい
DecompositionWhen heated to decomposition it emits very toxic fumes of HCl and nitrogen oxides.
Physical DescriptionOff-white powder[MSDSonline]
融点260°C (dec.)
外観・状態結晶性粉末
色ライトベージュ～グレーベージュ
Merck14,7283
BRN3911748
安定性安定。強力な酸化剤とは相容れない。
InChI1S/C6H8N2.2ClH/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H22*1H
InChIKeySVTOYMIYCMHPIV-UHFFFAOYSA-N
SMILESCl.Cl.Nc1cccc(N)c1
CAS データベース541-69-5(CAS DataBase Reference)
EPAの化学物質情報m-Phenylenediamine dihydrochloride (541-69-5)

化学的特性

white to slightly red crystalline powder

安全性と法規制

GHS 分類DangerH301: 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)H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
規制情報Chemical: 1,3-Benzenediamine, dihydrochloride
その他の安全情報IMAP assessments - 1,3-Benzenediamine, dihydrochloride: Human health tier II assessment
有害性の概要Has the potential to form methemoglobinEmergency treatment: ParaphenylenediamineIn sensitized individuals, paraphenylenediamine may cause allergic contact dermatitis following application as a hair dye and asthma following inhalationFollowing ingestion, can cause angioneurotic edema, methemoglobinemia, acute tubular necrosis, and hepatotoxicityAn adult died after ingestion of 3 grams of p-phenylenediamineAnother adult who ingested 1800 mg developed angioneurotic edema and acute renal failure[HSDB] An eye irritantMay cause skin sensitization[eChemPortal: ESIS] An irritantCan be absorbed through skin[MSDSonline] See p-Phenylenediamine.
Special ReportsUSEPAPHENYLENEDIAMINESRESPONSE TO INTERAGENCY TESTING COMMITTEEFED 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.
TSCA 要件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

用途

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.

Acute Tox. 3 (100%)Germ cell mutagenicity - category 2Acute toxicity (Oral) - Category 3Muta. 2
処分方法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.
有害作用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.
TSCA Test Submissionsm-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/SRP/: POTENTIAL METHEMOGLOBIN FORMER.Poison by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. Mutation data reported.
Non-Human Toxicity Excerpts4 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 TreatmentFor 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
F8-9-23
水環境危害等級（WGK）3
TSCA 収載状態TSCA listed
RTECS 番号SS9800000
輸送番号（UN）UN 2811 6.1/PG 3
税関コード29215900
危険文句（R）23/24/25-36-40-43-50/53-68
化審法(3)-185
危険表示T,N
安全措置（S）28-36/37-45-60-61-28A
危険等級6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Muta. 2Skin Sens. 1
包装等級III
毒劇物取締法劇物
貯蔵分類6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
有害物質データ541-69-5(Hazardous Substances Data)