tert-butyl 3-bromo-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine-7-carboxylate

HCID 17998723

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 723286-80-4
표준 SMILES: CC(C)(C)OC(=O)N1CCn2c(Br)nnc2C1
InChIKey: SSOWVJRCWPTTLK-UHFFFAOYSA-N
분자식: C10H15BrN4O2
평균 분자량: 303.16 g/mol
단동위원소 질량: 302.03784

이름 및 식별자

우선 이름: tert-butyl 3-bromo-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine-7-carboxylate
IUPAC: tert-butyl 3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
영어명: TERT-BUTYL 3-BROMO-5,6-DIHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINE-7(8H)-CARBOXYLATE
분자식: C10H15BrN4O2
분자량: 303.16

이름 및 동의어

tert-butyl 3-bromo-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylatetert-butyl 3-bromo-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine-7-carboxylateRefChem:893280829-197-9723286-80-4tert-butyl 3-Bromo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate7-Boc-3-bromo-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazineMFCD08448169tert-butyl 3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylatetert-Butyl 3-bromo-56-dihydro-[124]triazolo[43-a]pyrazine-7(8H)-carboxylatetert-Butyl 3-bromo-5,6-dihydro-1,2,4-triazolo[4,3-a]pyrazine-7(8H)-carboxylatetert-butyl 3-bromo-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8h)-carboxylate

이름 더 보기

tert-butyl 3-broMo-53-a]pyrazine-7(8H)-carboxylate7-Boc-3-bromo-5,6,7,8-tetrahydro-1,2,4-7-Boc-3-bromo-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazine3-Bromo-7-Boc-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazinetert-butyl 3-bromo-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine...7-N-Boc-3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine3-bromo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate

7-Boc-3-bromo-5,6-dihSCHEMBL1497486DTXSID80592054SSOWVJRCWPTTLK-UHFFFAOYSA-NCS-B1005SC2621AKOS015841635SB15914

데이터베이스 식별자

CAS: 723286-80-4
PubChem CID: 17998723
DTXSID: DTXSID80592054
EC Number: 829-197-9

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 60.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 307

물리화학적 성질

끓는 점: 430.4 · 430.4±55.0 °C(Predicted)
밀도: 1.62 · 1.62±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 0.55 · 0.55±0.20(Predicted)

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

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.