기본 정보
- CAS
3913-23-3- 표준 SMILES
COc1ccc([N+](=O)[O-])cc1CBr- InChIKey
JRHMPHMGOGMNDU-UHFFFAOYSA-N- 분자식
- C8H8BrNO3
- 평균 분자량
- 246.06 g/mol
- 단동위원소 질량
- 244.96876
이름 및 식별자
- 우선 이름
- 2-(Bromomethyl)-1-methoxy-4-nitrobenzene
- IUPAC
- 2-(bromomethyl)-1-methoxy-4-nitrobenzene
- 현지명
- 2-메톡시-5-니트로벤질브로마이드
- 영어명
- 2-Methoxy-5-nitrobenzyl bromide
- 분자식
- C8H8BrNO3
- 분자량
- 246.06
이름 및 동의어
2-(Bromomethyl)-1-methoxy-4-nitrobenzene3913-23-32-Methoxy-5-nitrobenzyl bromideDTXSID60192379RefChem:87860DTXCID20114870223-471-62-Bromomethyl-4-nitroanisoleKoshland's reagent IIKoshland Reagent No. 22-(Bromomethyl)-4-nitroanisoleBenzene, 2-(bromomethyl)-1-methoxy-4-nitro-
이름 더 보기
2-메톡시-5-니트로벤질브로마이드MNBBKOSHLAND IIKOSHLANDREAGENTIIkoshlandreagentno.2Koshland II reagent2-(bromomethyl)-4-nitro-anisol2-Methoxy-5-nitrobenzyl bromide 97%
Anisole, 2-(bromomethyl)-4-nitro-MFCD000073292-Methoxy-5-nitrobenzylbromideEINECS 223-471-6BRN 1878596Koshland reagent 2Toluene, alpha-bromo-2-methoxy-6-nitro-Koshland reagent number 2
데이터베이스 식별자
- CAS
3913-23-3- PubChem CID
- 77516
- DTXSID
DTXSID60192379- EC Number
- 223-471-6
- Nikkaji
- J8.262G
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 55.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 183
물리화학적 성질
- 녹는점
- 76 · 76-78 °C(lit.)
- 끓는 점
- 348.7 · 348.7±27.0 °C(Predicted)
- 밀도
- 1.589 · 1.589±0.06 g/cm3 (20 ºC 760 Torr)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- InChI
- InChI=1S/C8H8BrNO3/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,5H2,1H3
- InChIKey
- JRHMPHMGOGMNDU-UHFFFAOYSA-N
- SMILES
- C1(OC)=CC=C([N+]([O-])=O)C=C1CBr
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.；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
Regulatory InformationBenzene, 2-(bromomethyl)-1-methoxy-4-nitro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
규제 정보
Regulatory InformationBenzene, 2-(bromomethyl)-1-methoxy-4-nitro-: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- rtecs
- XS7966500
- ridadr
- UN 3261 8/PG 2
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
- 포장분류
- III
화학 및 산업
응용 분야
용도2-Methoxy-5-nitrobenzyl bromide was used to modify tryptophan residues of mouse interferon to enhance their activity. It was also used as reagent for sulfhydryl modification.
일반 설명2-Methoxy-5-nitrobenzyl bromide is a potential mechanism-based inactivator of enzymes that perform O-dealkylations.
상·하류 제품 정보
상류 원료
공급사35 곳
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