2-아미노-6-에톡시벤조티아졸

Amino-6-ethoxybenzothiazole, 2-

HCID 7192CAS 94-45-1

기본 정보

표준 SMILES
CCOc1ccc2nc(N)sc2c1
InChIKey
KOYJWFGMEBETBU-UHFFFAOYSA-N
분자식
C9H10N2OS
평균 분자량
194.26 g/mol
단동위원소 질량
194.05138394

개요

2-amino-6-ethoxybenzothiazole is an off-white powder. (NTP, 1992)

이름 및 식별자

우선 이름
Amino-6-ethoxybenzothiazole, 2-
IUPAC
6-ethoxy-1,3-benzothiazol-2-amine
현지명
2-아미노-6-에톡시벤조티아졸
영어명
2-Amino-6-ethoxybenzothiazole
분자식
C9H10N2OS
분자량
194.25

이름 및 동의어

2-AMINO-6-ETHOXYBENZOTHIAZOLE94-45-12-Benzothiazolamine, 6-ethoxy-6-Ethoxy-2-aminobenzothiazoleBenzothiazole, 2-amino-6-ethoxy-6-Ethoxy-2-benzothiazolamineEINECS 202-333-96-Ethoxybenzothiazol-2-ylamineDTXSID9024481Amino-6-ethoxybenzothiazole, 2-NSC 287316-ethoxy-1,3-benzothiazol-2-ylamine
이름 더 보기
2-아미노-6-에톡시벤조티아졸C9H10N2OSASISCHEM B88986AKOS BBS-00005697IFLAB-BB F0863-0001TIMTEC-BB SBB003602LABOTEST-BB LT00138932
DTXCID004481D621HZ191DNSC-28731(6-ETHOXYBENZOTHIAZOL-2-YL)AMINE6-ethoxybenzo[d]thiazol-2-amine6-ETHOXYBENZO(D)THIAZOL-2-AMINEBENZOTHIAZOLE, 1-AMINO-5-ETHOXY-RefChem:557517

데이터베이스 식별자

CAS
94-45-1
PubChem CID
7192
DTXSID
DTXSID9024481
ChEMBL
CHEMBL565755
UNII
D621HZ191D
EC Number
202-333-9
Nikkaji
J37.324I

물성

구조 계산 물성

XLogP
2.8
극성 표면적
76.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
13

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP2.4
Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Melting Point322 to 325 °F (NTP, 1992)
Physical Description2-amino-6-ethoxybenzothiazole is an off-white powder. (NTP, 1992)

물리화학적 성질

녹는점
161 · 161-163 °C (lit.)
끓는 점
356.1 · 356.1±34.0 °C(Predicted)
밀도
1.2164 · 1.2164 (rough estimate)
굴절률
1.68 · 1.6800 (estimate)
저장 조건
2 · 2-8°C(protect from light)
산도 계수 (pKa)
4.75 · 4.75±0.10(Predicted)

화학적 성질

off-white powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: 2-Benzothiazolamine, 6-ethoxy-
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 may emit toxic fumes of NOx and SOx. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1건

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.

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

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.

Nonfire Spill Response · 1건

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.

Personal Protective Equipment (PPE) · 1건

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)

안전 데이터

wgk
3
HS 번호
29349990
risk_code
20/21/22-36/37/38
hazard_code
Xn
safety_code
26-36
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

화학 및 산업

응용 분야

일반 설명Off-white powder.

공급사50 곳

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]
南京凯美西化工有限公司02558748998 18951874644 · [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]

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