基本情報
- CAS
540-23-8- 標準SMILES
Cc1ccc(N)cc1.Cl- InChIKey
JQKBUTDZZRGQDR-UHFFFAOYSA-N- 分子式
- C7H10ClN
- 平均分子量
- 143.61 g/mol
- 単同位体質量
- 143.050177
名称と識別子
- 優先名称
- Benzenamine, 4-methyl-, hydrochloride (1:1)
- IUPAC
- 4-methylaniline;hydrochloride
- 現地名
- p-トルイジン塩酸塩
- 英語名
- 4-Methylaniline hydrochloride
- 分子式
- C7H10ClN
- 分子量
- 143.61
名称と別名
名称をさらに表示
データベース識別子
- CAS
540-23-8- PubChem CID
- 10891
- DTXSID
DTXSID2021365- ChEMBL
CHEMBL3183830- UNII
- PT5II901IF
- EC Number
- 208-740-8
物性
構造計算による物性
- 極性表面積
- 26 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 62
実験および物理化学的性質
Physical Description
P-toluidine hydrochloride appears as off-white to grayish-white crystals. (NTP, 1992)
Off-white to grayish-white solid; [CAMEO] Off-white powder; [Anachemia MSDS]
物理化学的性質
- 融点
- 243 · 243-245 °C(lit.)
- 比重(密度)
- 1.193 g/cm3 · 1.193 g/cm3
- 貯蔵温度
- 30 °C · Store below +30°C.
- 水溶解度
- Soluble in water
- 溶解性
- DMSO (Sparingly), Methanol (Slightly)
- 外見
- powder to crystal
- 色
- White to Gray to Red
- BRN
- 3557540 · 3557540
- 安定性
- Hygroscopic
- InChI
- 1S/C7H9N.ClH/c1-6-2-4-7(8)5-3-6;/h2-5H,8H2,1H3;1H
- InChIKey
- JQKBUTDZZRGQDR-UHFFFAOYSA-N
- SMILES
- Cl[H].Cc1ccc(N)cc1
- CAS データベース
- 540 · 540-23-8(CAS DataBase Reference)
- EPAの化学物質情報
- p-Toluidine hydrochloride (540-23-8)
化学的性質
化学的特性white to light beige crystalline powder, crystals
安全と法規制
GHS分類
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral];H311: Toxic in contact with skin [Danger Acute toxicity, dermal];H317: May cause an allergic skin reaction [Warning Sensitization, Skin];H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331: Toxic if inhaled [Danger Acute toxicity, inhalation];H351: Suspected of causing cancer [Warning Carcinogenicity];H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
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
危険有害性情報
Regulatory Information
Chemical: Benzenamine, 4-methyl-, hydrochloride
4-Toluidine hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound are cyanosis, air hunger, nausea, vomiting, low blood pressure and convulsions. Chronic exposure results in weight loss, weakness and anemia.;ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes. (NTP, 1992)
Hazards Summary
A skin and severe eye irritant; May cause skin sensitization; May induce methemoglobinemia; Highly toxic by ingestion, inhalation, and skin absorption; Targets the blood, liver, kidney, and lung; Possible mutagen and carcinogen; [Anachemia MSDS] See p-Toluidine.
Hazard Classes and Categories
Acute Tox. 3 (97.5%);Acute Tox. 3 (100%);Skin Sens. 1 (100%);Eye Irrit. 2 (100%);Acute Tox. 3 (100%);Carc. 2 (100%);Aquatic Acute 1 (100%)
Acute toxicity - category 3;Carcinogenicity - category 2;Eye irritation - category 2A;Skin sensitisation - category 1;Hazardous to the aquatic environment (acute) - category 1
Carc. 2;Acute Tox. 3 *;Acute Tox. 3 *;Acute Tox. 3 *;Eye Irrit. 2;Skin Sens. 1;Aquatic Acute 1
安全と保護具
First Aid
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
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 chemical under refrigerated temperatures, protect from moisture and keep it away from oxidizing materials. (NTP, 1992)
Personal Protective Equipment (PPE)
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
法規制情報
Regulatory Information
Chemical: Benzenamine, 4-methyl-, hydrochloride
4-Toluidine hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XU7525000
- ridadr
- UN 2811 6.1/PG 1
- hs_code
- 29214300
- risk_code
- 23/24/25-36-40-43-50
- 化審法
- (3)-186
- hazard_code
- T,N
- safety_code
- 28-36/37-45-61
- hazard_class
- 6.1(a)
- packing_group
- II
- 毒劇物取締法
- 劇物
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Eye Irrit. 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
- 危険度評価(NFPA 704基準/消防庁データ)
- 人的[青]=2
化学と産業
用途と製造
応用分野
一般的な説明Off-white to grayish-white crystals.
調製方法
純化方法Crystallise the salt from MeOH containing a few drops of conc HCl or aqueous EtOH. Dry it under vacuum over paraffin chips. [Beilstein 12 II 587, 12 III 2021, 12 IV 1869.]
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