3-아이오도-1-메틸-1H-피라졸

3-Iodo-1-methyl-1H-pyrazole

HCID 13334057

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 92525-10-5
표준 SMILES: Cn1ccc(I)n1
InChIKey: SITJXRWLFQGWCB-UHFFFAOYSA-N
분자식: C4H5IN2
평균 분자량: 208 g/mol
단동위원소 질량: 207.94975

이름 및 식별자

우선 이름: 3-Iodo-1-methyl-1H-pyrazole
IUPAC: 3-iodo-1-methylpyrazole
현지명: 3-아이오도-1-메틸-1H-피라졸
영어명: 3-Iodo-1-methyl-1H-pyrazole
분자식: C4H5IN2
분자량: 208

이름 및 동의어

3-IODO-1-METHYL-1H-PYRAZOLE92525-10-5DTXSID00537245RefChem:280011DTXCID30488034663-187-33-iodo-1-methylpyrazole1-Methyl-3-iodopyrazoleMFCD084358901H-Pyrazole, 3-iodo-1-methyl-iodo-N-methylpyrazole3-iodo-1-methyl-pyrazole

이름 더 보기

3-아이오도-1-메틸-1H-피라졸3-idio-1-methylpyrazole3-Iodo-1-methy-1h-pyrazole3-Iodo-1-methyl-1H-pyrazole97%3-Iodo-1-methyl-1H-pyrazole 97%3-Iodo-1-methyl-pyrazole 97%min1H-?Pyrazole, 3-?iodo-?1-?methyl-

SCHEMBL104553-Iodo-1-methyl-d3-pyrazoleSCHEMBL7455562SITJXRWLFQGWCB-UHFFFAOYSA-NMFCD35057691SBB0939513-Iodo-1-methyl-1H-pyrazole, 95%AKOS005259789

데이터베이스 식별자

CAS: 92525-10-5
PubChem CID: 13334057
DTXSID: DTXSID00537245
EC Number: 663-187-3

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 66

물리화학적 성질

끓는 점: 226.9 ℃ · 226.9℃
밀도: 2.07 · 2.07
인화점: 91.1 ℃ · 91.1℃
굴절률: 1.588 · 1.5880
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 액체
산도 계수 (pKa): -0.03 · -0.03±0.10(Predicted)
색상: 갈색
InChI: InChI=1S/C4H5IN2/c1-7-3-2-4(5)6-7/h2-3H,1H3
InChIKey: SITJXRWLFQGWCB-UHFFFAOYSA-N
SMILES: N1(C)C=CC(I)=N1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (95.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 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.