CAS 81542-51-0 4-iodo-1H-pyrazol-3-amine (HCID 12831626)

기본 정보

CAS: 81542-51-0
표준 SMILES: Nc1[nH]ncc1I
InChIKey: CPVCVVMJPIOKMN-UHFFFAOYSA-N
분자식: C3H4IN3
평균 분자량: 208.99 g/mol
단동위원소 질량: 208.94499

이름 및 식별자

우선 이름: 4-iodo-1H-pyrazol-3-amine
IUPAC: 4-iodo-1H-pyrazol-5-amine
현지명: 3-AMino-4-iodo-1H-피라졸
영어명: 3-AMino-4-iodo-1H-pyrazole, 97%
분자식: C3H4IN3
분자량: 208.99

이름 및 동의어

4-Iodo-1H-pyrazol-3-amineRefChem:524158663-747-781542-51-03-Amino-4-iodo-1H-pyrazole4-iodo-1H-pyrazol-5-amineMFCD120223254-Iodo-3-aminopyrazole4-Iodo-1H-pyrazol-3-ylamine1H-pyrazol-5-amine, 4-iodo-DTXSID00510997AKOS015960270

이름 더 보기

3-AMino-4-iodo-1H-피라졸4-iodo-1H-pyrazole-3-amine1H-Pyrazol-3-amine, 4-iodo-3-AMino-4-iodo-1H-pyrazole, 97%

AKOS015997921AS-60664CS-0343142Z12692164834-iodo-1H-pyrazoAM8043713-amino-4-iodo-pyrazoleFT-0721349

데이터베이스 식별자

CAS: 81542-51-0
PubChem CID: 12831626
DTXSID: DTXSID00510997
EC Number: 663-747-7
Nikkaji: J2.591.885A

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 54.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 67

물리화학적 성질

녹는점: 143 · 143-149°C
끓는 점: 409.8 · 409.8±30.0 °C(Predicted)
밀도: 2.449 · 2.449±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 14.27 · 14.27±0.50(Predicted)
물리적 상태: 고체
색상: 검은색
InChI: 1S/C3H4IN3/c4-2-1-6-7-3(2)5/h1H,(H3,5,6,7)
InChIKey: CPVCVVMJPIOKMN-UHFFFAOYSA-N
SMILES: Nc1n[nH]cc1I

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；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, 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 41 reports by companies from 4 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 (97.6%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 2933199090
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

3-아미노피라졸

공급사33 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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