2-아미노-5-브로모-[1,3,4]티아디아졸

2-Amino-5-bromo-1,3,4-thiadiazole

HCID 3650883CAS 37566-39-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1nnc(Br)s1
InChIKey: GLYQQFBHCFPEEU-UHFFFAOYSA-N
분자식: C2H2BrN3S
평균 분자량: 180.03 g/mol
단동위원소 질량: 178.91528016

이름 및 식별자

우선 이름: 2-Amino-5-bromo-1,3,4-thiadiazole
IUPAC: 5-bromo-1,3,4-thiadiazol-2-amine
현지명: 2-아미노-5-브로모-[1,3,4]티아디아졸
영어명: 2-AMINO-5-BROMO-[1,3,4]THIADIAZOLE
분자식: C2H2BrN3S
분자량: 180.03

이름 및 동의어

2-AMINO-5-BROMO-1,3,4-THIADIAZOLERefChem:464495625-517-437566-39-55-bromo-1,3,4-thiadiazol-2-amine5-BROMO-1,3,4-THIADIAZOL-2-YLAMINE2-Amino-5-Bromo-[1,3,4]Thiadiazole1,3,4-Thiadiazol-2-amine, 5-bromo-MFCD004643255-Bromo-[1,3,4]thiadiazol-2-ylamineC2H2BrN3SDTXSID90394667

이름 더 보기

2-아미노-5-브로모-[1,3,4]티아디아졸TOSLAB 5874Bromo-1,3,4-thiadiazol-2-amine2-Amino-5-bromo-1,3,4-thiadiazoL2-amino-4-bromo-1,3,4-thiadiazole2-amino-5-bromo-1,2,3-thiadiazole5-bromo-2-amino-1,3,4-thiadiazole

5-bromo-1,3,4-thiadiazole-2-aminSTK713062AKOS0002658415-bromo-1,3,4-thiadiazole-2-ylamineAC-231175-bromo-1,3,4-thiadiazole-2-amineAM20090605A823761

데이터베이스 식별자

CAS: 37566-39-5
PubChem CID: 3650883
DTXSID: DTXSID90394667
EC Number: 625-517-4
Nikkaji: J2.227.680H

물성

구조 계산 물성

XLogP: 1
극성 표면적: 80 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 70

물리화학적 성질

녹는점: 178 · 178-182 °C (dec.)
끓는 점: 314.1 · 314.1±25.0 °C(Predicted)
밀도: 2.147 · 2.147
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 1.76 · 1.76±0.10(Predicted)
물리적 상태: 가루
색상: 베이지색
InChI: InChI=1S/C2H2BrN3S/c3-1-5-6-2(4)7-1/h(H2,4,6)
InChIKey: GLYQQFBHCFPEEU-UHFFFAOYSA-N
SMILES: S1C(Br)=NN=C1N

화학적 성질

Yellow powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

안전 데이터

wgk: 2
HS 번호: 2934999090
risk_code: 20/21/22-36
hazard_code: Xi
safety_code: 22-36/37/39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2-Amino-5-bromo-1,3,4-thiadiazole can be used:As the key building block for the synthesis of myriad of thiadiazolo[3,2-α]pyrimidin-7-ones which have diverse biological activities.For the synthesis of 2-bromoimidazo[2,1-b][1,3,4]thiadiazoles by reacting with α-bromo ketones.