2-아미노-6-클로로벤조티아졸

6-Chloro-2-benzothiazolamine

HCID 7226CAS 95-24-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1nc2ccc(Cl)cc2s1
InChIKey: VMNXKIDUTPOHPO-UHFFFAOYSA-N
분자식: C7H5ClN2S
평균 분자량: 184.65 g/mol
단동위원소 질량: 183.98619684

이름 및 식별자

우선 이름: 6-Chloro-2-benzothiazolamine
IUPAC: 6-chloro-1,3-benzothiazol-2-amine
현지명: 2-아미노-6-클로로벤조티아졸
영어명: 2-Amino-6-chlorobenzothiazole
분자식: C7H5ClN2S
분자량: 184.65

이름 및 동의어

2-Amino-6-chlorobenzothiazole95-24-96-Chlorobenzothiazol-2-ylamine6-Chloro-1,3-benzothiazol-2-amine2-Benzothiazolamine, 6-chloro-6-chlorobenzo[d]thiazol-2-amine6-Chloro-2-benzothiazolamine2-Amino-6-chloro-1,3-benzothiazoleBENZOTHIAZOLE, 2-AMINO-6-CHLORO-EINECS 202-402-36-chloro-2-aminobenzothiazoleBRN 0127752

이름 더 보기

2-아미노-6-클로로벤조티아졸TIMTEC-BB SBB000249IFLAB-BB F1386-0399LABOTEST-BB LT000125886-chloro-2-benzothiazolamin6-Chlorobenzothiazol-2-amine2-amino-6-chloro-benzothiazol

2U337T5UFG6-chloro-1,3-benzothiazol-2-ylamineDTXSID40591204-27-00-04862 (Beilstein Handbook Reference)6-CHLORO-2-BENZOTHIAZOLYLAMINE6-CHLOROBENZO(D)THIAZOL-2-AMINERefChem:541509DTXCID7048950

데이터베이스 식별자

CAS: 95-24-9
PubChem CID: 7226
DTXSID: DTXSID4059120
ChEMBL: CHEMBL97643
UNII: 2U337T5UFG
EC Number: 202-402-3
Nikkaji: J37.322B

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 67.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 155

물리화학적 성질

녹는점: 199 · 199-201 °C (lit.)
끓는 점: 344.3 · 344.3±34.0 °C(Predicted)
밀도: 1.475 · 1.4750 (rough estimate)
굴절률: 1.61 · 1.6100 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 메탄올에 용해됨
물리적 상태: 결정성 분말
산도 계수 (pKa): 3.3 · 3.30±0.10(Predicted)
색상: 미색부터 밝은 베이지까지
InChI: 1S/C7H5ClN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKey: VMNXKIDUTPOHPO-UHFFFAOYSA-N
SMILES: Nc1nc2ccc(Cl)cc2s1
NIST: 2 · 2-Amino-6-chlorobenzothiazole(95-24-9)
EPA: 2 · 2-Benzothiazolamine, 6-chloro- (95-24-9)

화학적 성질

off-white to light beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 52 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: 2-Benzothiazolamine, 6-chloro-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DL1575000
HS 번호: 29349990
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26
위험 등급: IRRITANT
위험 참고 사항: Harmful/Irritant
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Benzothiazolamine, 6-chloro-: INACTIVE

응용 분야 · 1건

일반 설명2-amino-6-chloro-benzothiazole on microwave irradiation in the presence of 1-butyl-3-methylimidazolium and inorganic anions yields fluorinated benzothiazolo[2,3-b]quinazoline-2H-ones analogues. It has synergistic effect on inhibitive performance of propargyl alcohol during corrosion of mild steel in boiling HCl solution.