Methyl 5-bromo-3-(bromomethyl)pyridine-2-carboxylate

HCID 58171990CAS 1048678-21-2

기본 정보

표준 SMILES: COC(=O)c1ncc(Br)cc1CBr
InChIKey: CPWMCAMLRLHDAT-UHFFFAOYSA-N
분자식: C8H7Br2NO2
평균 분자량: 308.95 g/mol
단동위원소 질량: 306.88435

이름 및 식별자

우선 이름: Methyl 5-bromo-3-(bromomethyl)pyridine-2-carboxylate
IUPAC: methyl 5-bromo-3-(bromomethyl)pyridine-2-carboxylate
영어명: CPWMCAMLRLHDAT-UHFFFAOYSA-N
분자식: C8H7Br2NO2
분자량: 308.95

이름 및 동의어

1048678-21-2METHYL 5-BROMO-3-(BROMOMETHYL)PYRIDINE-2-CARBOXYLATERefChem:816946893-508-4Methyl 5-bromo-3-(bromomethyl)picolinateMFCD18251169SCHEMBL289465SCHEMBL30745103CPWMCAMLRLHDAT-UHFFFAOYSA-NYRB67821AKOS027337939AB74361

이름 더 보기

5-Bromo-3-bromomethyl-pyridine-2-carboxylic acid methyl ester2-Pyridinecarboxylic acid, 5-bromo-3-(bromomethyl)-, methyl ester

Methyl5-bromo-3-(bromomethyl)picolinateAS-48430SY270171DB-320037F30936EN300-7422480F501064F1916-0241

데이터베이스 식별자

CAS: 1048678-21-2
PubChem CID: 58171990
EC Number: 893-508-4

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 189

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+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.