2-아미노-5-브로모티아졸

2-Thiazolamine, 5-bromo-

HCID 43600CAS 3034-22-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ncc(Br)s1
InChIKey: ARHCLXWELPFVFQ-UHFFFAOYSA-N
분자식: C3H3BrN2S
평균 분자량: 179.04 g/mol
단동위원소 질량: 177.9200312

이름 및 식별자

우선 이름: 2-Thiazolamine, 5-bromo-
IUPAC: 5-bromo-1,3-thiazol-2-amine
현지명: 2-아미노-5-브로모티아졸
영어명: 2-Amino-5-bromothiazole
분자식: C3H3BrN2S
분자량: 179.04

이름 및 동의어

2-Amino-5-bromothiazole5-Bromo-1,3-thiazol-2-amine2-Thiazolamine, 5-bromo-RefChem:483723819-500-2924-305-13034-22-85-bromothiazol-2-amine5-Bromo-thiazol-2-ylamineMFCD000168932-amino-5-bromo-thiazole5-bromo-1,3-thiazole-2-ylamine

이름 더 보기

2-아미노-5-브로모티아졸5-broMo-2-aMino-thiazole5-BROMO-2-AMINOTHIAZOLE HYDROBROMIDETIMTEC-BB SBB0002045-Bromo-2-thiazolamine5-Bromothiazole-2-amine

5-Bromothiazol-2-ylamine5-bromo-2-aminothiazole2-amino-5 -bromothiazole5-bromo-thiazol-2-yl-amineSCHEMBL344676orb3174570SCHEMBL9328902CHEMBL5179176

데이터베이스 식별자

CAS: 3034-22-8
PubChem CID: 43600
DTXSID: DTXSID20275455
ChEMBL: CHEMBL5179176
EC Number: 819-500-2、924-305-1
Nikkaji: J59.596I

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 67.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 70

물리화학적 성질

녹는점: 165 °C · 165 °C (dec.)(lit.)
끓는 점: 287.6 · 287.6±13.0 °C(Predicted)
밀도: 1.976 · 1.976±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 고체
산도 계수 (pKa): 3.22 · 3.22±0.10(Predicted)
색상: 하얀색
InChI: InChI=1S/C3H3BrN2S/c4-2-1-6-3(5)7-2/h1H,(H2,5,6)
InChIKey: ARHCLXWELPFVFQ-UHFFFAOYSA-N
SMILES: S1C(Br)=CN=C1N

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Regulatory Information2-Thiazolamine, 5-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

rtecs: XJ1262200
HS 번호: 2934100090
risk_code: 22-36
hazard_code: Xn
safety_code: 26-36/37

화학 및 산업

응용 분야 · 1건

용도2-Amino-5-bromothiazole is a type of aliphatic hydrocarbon that has been synthesized by Friedel-Crafts acylation. This chemical is used to neutralize typhimurium and can be used in the synthesis of other compounds. The functional theory on how 2-amino-5-bromothiazole works may be due to its ability to form nitro groups, which are highly reactive and cause depression in the reaction scheme. 2-Amino-5-bromothiazole is often used as a test organism for other organisms in order to measure their sensitivity to different types of chemicals. It has also been shown that it has an effect on hydrocarbons, which have been shown to have an effect on organisms such as bacteria.