2,1,3-벤조싸이아다이아졸-4-일아민

2,1,3-Benzothiadiazol-4-amine

HCID 69845CAS 767-64-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1cccc2nsnc12
InChIKey: DRLGIZIAMHIQHL-UHFFFAOYSA-N
분자식: C6H5N3S
평균 분자량: 151.19 g/mol
단동위원소 질량: 151.02041835

이름 및 식별자

우선 이름: 2,1,3-Benzothiadiazol-4-amine
IUPAC: 2,1,3-benzothiadiazol-4-amine
현지명: 2,1,3-벤조싸이아다이아졸-4-일아민
영어명: 4-Aminobenzo-2,1,3-thiadiazole
분자식: C6H5N3S
분자량: 151.19

이름 및 동의어

2,1,3-Benzothiadiazol-4-amine767-64-64-Aminobenzo-2,1,3-thiadiazole4-Amino-2,1,3-benzothiadiazole2,1,3-Benzothiadiazole, 4-amino-NSC-73013N93ZR5H5L1DTXSID60227498RefChem:97834DTXCID60149989212-186-2Benzo[c][1,2,5]thiadiazol-4-amine

이름 더 보기

2,1,3-벤조싸이아다이아졸-4-일아민4-아미노벤조-2,1,3-티아디아졸AI3-60012NSC 7301322726-33-6BRN 0003551AKOS BC-0685MLS000762975NCI60_041592SMR000438262

4-AminopiazthioleMFCD00005810Benzo[1,2,5]thiadiazol-4-ylamine7-Amino-2,1,3-benzothiadiazole2,1,3-Benzothiadiazol-4-ylamine2,1,3-Benzothiadiazole, 7-amino-NSC730132lambda4,1,3-benzothiadiazol-4-amine

데이터베이스 식별자

CAS: 767-64-6
PubChem CID: 69845
DTXSID: DTXSID60227498
ChEMBL: CHEMBL1447590
UNII: N93ZR5H5L1
EC Number: 212-186-2
Nikkaji: J3.665.764B、J41.983D

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 80 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 130

물리화학적 성질

녹는점: 67 · 67-69 °C (lit.)
끓는 점: 303 · 303.0±15.0 °C(Predicted)
밀도: 1.485 · 1.485±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 0.81 · 0.81±0.10(Predicted)
색상: Light yellow to Amber to Dark green
수용성: 물에 불용성.
BRN: 3551 · 3551
InChI: InChI=1S/C6H5N3S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2
InChIKey: DRLGIZIAMHIQHL-UHFFFAOYSA-N
SMILES: N1=C2C=CC=C(N)C2=NS1
NIST: 4 · 4-Amino-2,1,3-benzothiadiazole(767-64-6)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 74 reports by companies from 4 notifications to the ECHA C&L Inventory.；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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (98.6%)

안전 데이터

wgk: 3
rtecs: DK9950000
ridadr: 2811
HS 번호: 2934.99.4400
risk_code: 22-36/37/38-20/21/22
hazard_code: Xn,Xi
safety_code: 22-26-36/37/39
포장분류: III
위험 등급: IRRITANT
기존화학 물질: KE-02720

화학 및 산업

응용 분야 · 2건

용도4-Aminobenzo-2,1,3-thiadiazole is used in a study to synthesize and evaluate the inhibitory activity of a series of substituted benzimidazoles and small benzothiadiazoles on rat liver methionine synthase. It was used as potential levelers for Cu plating in submicrometer trenches.

일반 설명4-Amino-2,1,3-benzothiadiazole is a gold green to yellow brown powder. It undergoes palladium catalyzed C-N coupling with 2-(2′-bromo-9′,9′-diethylfluoren-7′-yl)-9,9-diethylfluorene to form novel fluorescent dyes. 4-Amino-2,1,3-benzothiadiazole forms dicopper complexes.