3-(Aminomethyl)-5-bromopyridine

HCID 22992264

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기본 정보

CAS: 135124-70-8
표준 SMILES: NCc1cncc(Br)c1
InChIKey: OQUHYNMITHDQLD-UHFFFAOYSA-N
분자식: C6H7BrN2
평균 분자량: 187.04 g/mol
단동위원소 질량: 185.97926

이름 및 식별자

우선 이름: 3-(Aminomethyl)-5-bromopyridine
IUPAC: (5-bromo-3-pyridinyl)methanamine
영어명: 3-(Aminomethyl)-5-bromopyridine 97%
분자식: C6H7BrN2
분자량: 187.04

이름 및 동의어

3-(Aminomethyl)-5-bromopyridineRefChem:494085640-639-8(5-Bromopyridin-3-yl)methanamine135124-70-8(5-Bromo-3-pyridinyl)methylamine5-Bromo-3-pyridinemethylamine1-(5-BROMOPYRIDIN-3-YL)METHANAMINEMFCD06212876(5-bromo-3-pyridyl)methylamineCHEMBL61207453-(Aminomethyl)-5-bromopyridine 97per cent

이름 더 보기

(5-Bromopyridin-3-yl)methylamine3-(Aminomethyl)-5-bromopyridine 97%3-(Aminomethyl)-5-bromopyridine 97%3-(Aminomethyl)-5-bromopyridine 95+%(5-bromopyridin-3-yl)methanamine - [B3293]

C-(5-BROMO-PYRIDIN-3-YL)-METHYLAMINE3-Pyridinemethanamine, 5-bromo-3-Aminomethyl-5-bromopyridine5-BROMO-3-PYRIDINEMETHANAMINE5-aminomethyl-3-bromopyridineSCHEMBL745600(5-bromo-3-pyridyl)methanamineDTXSID50629407

데이터베이스 식별자

CAS: 135124-70-8
PubChem CID: 22992264
DTXSID: DTXSID50629407
ChEMBL: CHEMBL6120745
EC Number: 640-639-8

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 87

물리화학적 성질

끓는 점: 269.4 · 269.4±25.0 °C(Predicted)
밀도: 1.574 · 1.574±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 7.75 · 7.75±0.29(Predicted)
물리적 상태: 액체
색상: 빨간색

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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. 3 (33.3%)；Acute Tox. 4 (66.7%)；Acute Tox. 4 (33.3%)；Skin Corr. 1B (33.3%)；Eye Dam. 1 (33.3%)；Acute Tox. 4 (66.7%)