4-メトキシベンゾチアゾール-2-アミン

4-Methoxy-2-aminobenzothiazole

HCID 21622CAS 5464-79-9

基本情報

標準SMILES
COc1cccc2sc(N)nc12
InChIKey
YEBCRAVYUWNFQT-UHFFFAOYSA-N
分子式
C8H8N2OS
平均分子量
180.23 g/mol
単同位体質量
180.03573406

名称と識別子

優先名称
4-Methoxy-2-aminobenzothiazole
IUPAC
4-methoxy-1,3-benzothiazol-2-amine
現地名
4-メトキシベンゾチアゾール-2-アミン
英語名
4-Methoxy-2-aminobenzothiazole
分子式
C8H8N2OS
分子量
180.23

名称と別名

2-AMINO-4-METHOXYBENZOTHIAZOLE5464-79-94-Methoxy-2-aminobenzothiazole2-Benzothiazolamine, 4-methoxy-Benzothiazole, 2-amino-4-methoxy-4-Methoxybenzothiazol-2-ylamineDTXSID4024484EINECS 226-763-1NSC 287407E3D8644F2BRN 0141363NSC-28740
名称をさらに表示
4-メトキシベンゾチアゾール-2-アミン2-アミノ-4-メトキシベンゾチアゾール2-アミノ-4-メトキシ-1,3-ベンゾチアゾール4-メトキシ-1,3-ベンゾチアゾール-2-アミン4-methoxybenzo[d]thiazol-2-amine4-METHOXY-1,3-BENZOTHIAZOL-2-AMINE15144-A2AKOS BBS-00007984TIMTEC-BB SBB0002204-Methoxybenzothiazol-2-amine2-amino-4-methoxy-benzothiazol
(4-METHOXYBENZOTHIAZOL-2-YL)AMINEDTXCID2044844-27-00-05446 (Beilstein Handbook Reference)4-METHOXY-2-BENZOTHIAZOLAMINEAMINO-4-METHOXYBENZOTHIAZOLE, 2-BENZOTHIAZOLE, 1-AMINO-3-METHOXY-RefChem:5245302-Benzothiazolamine, 4-methoxy-(9CI)

データベース識別子

CAS
5464-79-9
PubChem CID
21622
DTXSID
DTXSID4024484
ChEMBL
CHEMBL1487454
UNII
7E3D8644F2
EC Number
226-763-1
Nikkaji
J41.961C

物性

構造計算による物性

XLogP
2
極性表面積
76.4 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
1
重原子数
12

実験および物理化学的性質

Solubilityless than 1 mg/mL at 67.1 °F (NTP, 1992)
Melting Point307 to 311 °F (NTP, 1992)
Physical Description2-amino-4-methoxybenzothiazole is a beige chunky solid. (NTP, 1992)
Kovats Retention Index1892

物理化学的性質

融点
153 · 153-155 °C (lit.)
沸点
240 °C · 240°C (rough estimate)
比重(密度)
1.2425 · 1.2425 (rough estimate)
屈折率
1.569 · 1.5690 (estimate)
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature
外見
結晶性粉末

化学的性質

化学的特性Beige crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (89.1%): Harmful in contact with skin [Warning Acute toxicity, dermal];H332 (89.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]

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

Aggregated GHS information provided per 46 reports by companies from 4 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

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes of NOx and SOx. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines;Sulfides, Organic
Reactivity Profile · 1 件

An amine, organosulfide. Organosulfides are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (89.1%);Acute Tox. 4 (89.1%)

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: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing 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)

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)

安全データ

wgk
3
rtecs
DL2000000
hs_code
29342000
risk_code
20/21/22
hazard_code
Xn,Xi
hazard_note
Harmful

化学と産業

応用分野

一般的な説明Beige chunky solid.

サプライヤー50 社

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]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]

関連反応

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