CAS 304902-96-3 5-Bromo-2-cyclopropylpyrimidine (HCID 20444413)

기본 정보

CAS: 304902-96-3
표준 SMILES: Brc1cnc(C2CC2)nc1
InChIKey: ANURJXNEVQWODA-UHFFFAOYSA-N
분자식: C7H7BrN2
평균 분자량: 199.05 g/mol
단동위원소 질량: 197.97926

이름 및 식별자

우선 이름: 5-Bromo-2-cyclopropylpyrimidine
IUPAC: 5-bromo-2-cyclopropylpyrimidine
영어명: 5-Bromo-2-cyclopropylpyrimidine
분자식: C7H7BrN2
분자량: 199.05

이름 및 동의어

5-bromo-2-cyclopropylpyrimidine304902-96-3DTXSID60607236RefChem:301627DTXCID50557993822-945-55-BROMO-2-CYCLOPROPYL-PYRIMIDINEPyrimidine, 5-bromo-2-cyclopropyl-MFCD14702784SCHEMBL5874752-cyclopropyl-5-bromo-pyrimidineAKOS015917217

이름 더 보기

2-Cyclopropyl-5-bromopyrimidine5-bromo-2-cyclopropylpyrimidine-4,6-d25-Bromo-2-cyclopropylpyrimidine - [B15587]5-Bromo-2-cyclopropylpyrimidine ISO 9001：2015 REACH

AS-37784CS-0018650EN300-189530AM803669EMA90296PB33220SY111001DB-026934

데이터베이스 식별자

CAS: 304902-96-3
PubChem CID: 20444413
DTXSID: DTXSID60607236
EC Number: 822-945-5

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 117

물리화학적 성질

끓는 점: 255 ℃ · 255℃
밀도: 1.657 · 1.657
인화점: 108 ℃ · 108℃
저장 조건: Store at room temperature
산도 계수 (pKa): 0.67 · 0.67±0.22(Predicted)
InChI: InChI=1S/C7H7BrN2/c8-6-3-9-7(10-4-6)5-1-2-5/h3-5H,1-2H2
InChIKey: ANURJXNEVQWODA-UHFFFAOYSA-N
SMILES: C1(C2CC2)=NC=C(Br)C=N1

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]；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)

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