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기본 정보
- CAS
931-33-9- 표준 SMILES
O=Cc1cc(Br)c[nH]1- InChIKey
RFQYNGQAZZSGFM-UHFFFAOYSA-N- 분자식
- C5H4BrNO
- 평균 분자량
- 174 g/mol
- 단동위원소 질량
- 172.94763
이름 및 식별자
- 우선 이름
- 4-Bromo-1H-pyrrole-2-carbaldehyde
- IUPAC
- 4-bromo-1H-pyrrole-2-carbaldehyde
- 현지명
- 4-브로모파이롤-2-카르복스알데히드
- 영어명
- 4-BROMOPYROLE-2-CARBOXALDEHYDE
- 분자식
- C5H4BrNO
- 분자량
- 174
이름 및 동의어
4-Bromo-1H-pyrrole-2-carbaldehyde931-33-9DTXSID30344803RefChem:290542DTXCID00295878850-328-04-Bromo-1H-pyrrole-2-carboxaldehyde4-bromo-2-pyrrolecarboxaldehyde4-BROMOPYROLE-2-CARBOXALDEHYDE4-bromopyrrole-2-carbaldehydeMFCD021795864-Bromopyrrole-2-carboxaldehyde
이름 더 보기
4-브로모파이롤-2-카르복스알데히드Request For Quotation 4-BROMOPYROLE-2-CARBOXALDEHYDE
1H-Pyrrole-2-carboxaldehyde, 4-bromo-4-bromo-2-formylpyrrole4-bromo-2-formyl-1h-pyrroleSCHEMBL2362181SCHEMBL6211832BUTTPARK 154\50-23Pyrrole-2-carboxaldehyde, 4-bromo-SBB088835
데이터베이스 식별자
- CAS
931-33-9- PubChem CID
- 599627
- DTXSID
DTXSID30344803- EC Number
- 850-328-0
- Nikkaji
- J743.312C
물성
구조 계산 물성보충 중
- XLogP
- 1.2
- 극성 표면적
- 32.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 96
물리화학적 성질
- 녹는점
- 123 · 123-124 °C
- 끓는 점
- 282.1 · 282.1±20.0 °C(Predicted)
- 밀도
- 1.819 · 1.819±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 산도 계수 (pKa)
- 13.53 · 13.53±0.50(Predicted)
- InChI
- InChI=1S/C5H4BrNO/c6-4-1-5(3-8)7-2-4/h1-3,7H
- InChIKey
- RFQYNGQAZZSGFM-UHFFFAOYSA-N
- SMILES
- N1C=C(Br)C=C1C=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): 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, P317, 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 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. 4 (66.7%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (66.7%)
안전 데이터
- HS 번호
- 2933998090
- hazard_code
- Xi
화학 및 산업
응용 분야
용도Twenty-one halo- and cyanopyrroles related to the trail pheromone of A. texana, Methyl 4-Methylpyrrole-2-carboxylate [34402-78-3], were prepared and tested by a faster and more sensitive bioassay than was previously available. Methyl 4-Chloropyrrole-2-carboxylate [1194-96-3] and Methyl 4-bromopyrrole-2-carboxylate appeared to be as active as the first one. Responsiveness of the ants in descending order to these compounds based on the constituent in the number two position, was: esters, methyl ketones, aldehydes.
상·하류 제품 정보
상류 원료
공급사78 곳
上海凛南医药科技有限公司15900633975;13262632028 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西缔都化学有限公司
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