5-브로모-피라진-2,3-디아민

5-Bromopyrazine-2,3-diamine

HCID 2771857

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 89123-58-0
표준 SMILES: Nc1ncc(Br)nc1N
InChIKey: CPYAUFLEMLTQAA-UHFFFAOYSA-N
분자식: C4H5BrN4
평균 분자량: 189.01 g/mol
단동위원소 질량: 187.96976

이름 및 식별자

우선 이름: 5-Bromopyrazine-2,3-diamine
IUPAC: 5-bromopyrazine-2,3-diamine
현지명: 5-브로모-피라진-2,3-디아민
영어명: 5-Bromo-pyrazine-2,3-diamine
분자식: C4H5BrN4
분자량: 189.01

이름 및 동의어

5-bromopyrazine-2,3-diamine89123-58-0DTXSID60378131RefChem:302065DTXCID70329159635-837-62,3-Diamino-5-bromopyrazine5-BROMO-2,3-DIAMINOPYRAZINEMFCD062455755-Bromo-pyrazine-2,3-diamine2,3-Pyrazinediamine, 5-bromo-5-Brom-2,3-pyrazindiamin

이름 더 보기

5-브로모-피라진-2,3-디아민5-Bromo-2,3-pyrazinediaminePyrazine, 2,3-diamino-5-bromo-5-BROMO-PYRAZINE-2,3-DIAMINE ISO 9001：2015 REACH

SCHEMBL165172SCHEMBL29912802CPYAUFLEMLTQAA-UHFFFAOYSA-NALBB-030175SBB0908732,3-Diamino-5-bromopyrazine, 97%AKOS001839472AC-7340

데이터베이스 식별자

CAS: 89123-58-0
PubChem CID: 2771857
DTXSID: DTXSID60378131
EC Number: 635-837-6

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 77.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 98

물리화학적 성질

녹는점: 212 · 212-216 °C (dec.)
끓는 점: 357.1 · 357.1±37.0 °C(Predicted)
밀도: 1.956 · 1.956±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 2.72 · 2.72±0.10(Predicted)
색상: 연한 갈색
InChI: 1S/C4H5BrN4/c5-2-1-8-3(6)4(7)9-2/h1H,(H2,6,8)(H2,7,9)
InChIKey: CPYAUFLEMLTQAA-UHFFFAOYSA-N
SMILES: Nc1ncc(Br)nc1N

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 2933998090
risk_code: 22-36/37/38-43
hazard_code: Xn
safety_code: 26-36/37
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 11 - Combustible Solids