3-피리딘아세트산,5-broMo-,메틸에스테르

Methyl 2-(5-bromopyridin-3-yl)acetate

HCID 23398394CAS 118650-08-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)Cc1cncc(Br)c1
InChIKey: GHJJIFVFBRAMEB-UHFFFAOYSA-N
분자식: C8H8BrNO2
평균 분자량: 230.06 g/mol
단동위원소 질량: 228.97384

이름 및 식별자

우선 이름: Methyl 2-(5-bromopyridin-3-yl)acetate
IUPAC: methyl 2-(5-bromo-3-pyridinyl)acetate
현지명: 3-피리딘아세트산,5-broMo-,메틸에스테르
영어명: 3-Pyridineacetic acid, 5-broMo-, Methyl ester
분자식: C8H8BrNO2
분자량: 230.06

이름 및 동의어

METHYL 2-(5-BROMOPYRIDIN-3-YL)ACETATERefChem:813562861-692-5118650-08-1Methyl 2-(5-Bromo-3-pyridyl)acetate3-Pyridineacetic acid, 5-bromo-, methyl esterMFCD10000065SCHEMBL746604methyl(5-bromo-3-pyridinyl)acetateMethyl (5-bromopyridin-3-yl)acetateCS-W004448(5-bromo-pyridin-3-yl)acetic acid methyl ester

이름 더 보기

3-피리딘아세트산,5-broMo-,메틸에스테르methyl 2-(5-bromo-3-pyridyl)acetate - [M37671](5-bromo-pyridin-3-yl)-acetic acid methyl ester

A893064DTXSID40633593GHJJIFVFBRAMEB-UHFFFAOYSA-Nmethyl(5-bromopyridin-3-yl)acetateTEA65008methyl (5-bromo-3-pyridinyl)acetateAKOS016002678AS-38999

데이터베이스 식별자

CAS: 118650-08-1
PubChem CID: 23398394
DTXSID: DTXSID40633593
EC Number: 861-692-5

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 163

물리화학적 성질

끓는 점: 284.3 · 284.3±25.0 °C(Predicted)
밀도: 1.517 · 1.517±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 2.08 · 2.08±0.21(Predicted)

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.