2-메틸피리미딘-5-카르브알데히드

2-Methylpyrimidine-5-carbaldehyde

HCID 3160970

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 90905-33-2
표준 SMILES: Cc1ncc(C=O)cn1
InChIKey: IJBONYUNKRDIFC-UHFFFAOYSA-N
분자식: C6H6N2O
평균 분자량: 122.12 g/mol
단동위원소 질량: 122.04801282

이름 및 식별자

우선 이름: 2-Methylpyrimidine-5-carbaldehyde
IUPAC: 2-methylpyrimidine-5-carbaldehyde
현지명: 2-메틸피리미딘-5-카르브알데히드
영어명: 2-Methylpyrimidine-5-carbaldehyde
분자식: C6H6N2O
분자량: 122.12

이름 및 동의어

2-methylpyrimidine-5-carbaldehyde90905-33-2DTXSID10390282RefChem:263986DTXCID60341143827-790-75-Formyl-2-methylpyrimidine2-Methyl-pyrimidine-5-carbaldehydeMFCD071864342-METHYL-5-PYRIMIDINECARBALDEHYDE2-methyl-5-formyl-pyrimidine2-Methyl-pyridine-5-carboxaldehyde

이름 더 보기

2-메틸피리미딘-5-카르브알데히드2-Methyl-pyriMidin-carbaldehyde2-Methylpyrimidine-5-carbaldehyd2-Methylpyrimidine-5-carboxyaldehyde5-Pyrimidinecarboxaldehyde,2-methyl-

2-methyl-pyrimidine-5-carboxaldehydeSTL553933AKOS0002838542-Methyl-5-pyrimidinecarboxaldehydeF9995-41885-PYRIMIDINECARBOXALDEHYDE, 2-METHYL-BCP03539FT-0603734

데이터베이스 식별자

CAS: 90905-33-2
PubChem CID: 3160970
DTXSID: DTXSID10390282
EC Number: 827-790-7
Nikkaji: J433.189C

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 42.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 97

물리화학적 성질

녹는점: 68 · 68-690C
끓는 점: 213.7 · 213.7±13.0 °C(Predicted)
밀도: 1.176 · 1.176±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 0.28 · 0.28±0.22(Predicted)
색상: 옅은 노랑

화학적 성질

Pale Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): 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 2 reports by companies from 2 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.