기본 정보
- 표준 SMILES
OCCCBr- InChIKey
RQFUZUMFPRMVDX-UHFFFAOYSA-N- 분자식
- C3H7BrO
- 평균 분자량
- 138.99 g/mol
- 단동위원소 질량
- 137.96802694
개요
3-bromo-1-propanol is a clear colorless liquid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 3-Bromo-1-propanol
- IUPAC
- 3-bromopropan-1-ol
- 현지명
- 3-브로모-1-프로판올
- 영어명
- 3-Bromo-1-propanol
- 분자식
- C3H7BrO
- 분자량
- 138.99
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
627-18-9- PubChem CID
- 12308
- DTXSID
DTXSID3024657- ChEMBL
CHEMBL466545- ChEBI
CHEBI:144333- UNII
- 3T4AXH68FH
- EC Number
- 210-986-6
- Nikkaji
- J3.012K
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 16.4
실험 및 물리화학적 성질
Flash Point
201 °F (NTP, 1992)
201 °F
Physical Description
3-bromo-1-propanol is a clear colorless liquid. (NTP, 1992)
Clear colorless liquid; [CAMEO]
물리화학적 성질
- 끓는 점
- 62 °C/5 · 62 °C/5 mmHg (lit.)
- 밀도
- 1.537 g/mL · 1.537 g/mL at 25 °C (lit.)
- 증기압
- 0.13 hPa · 0.13 hPa (20 °C)
- 굴절률
- 20 · n20/D 1.488(lit.)
- 인화점
- 215 °F · 215 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 167 g/L · 167g/L
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 14.65 · 14.65±0.10(Predicted)
- Specific Gravity
- 1.6 · 1.60
- 색상
- 무색투명~미황색
- 수용성
- 167 g/L · 167g/L(20℃)
- BRN
- 969160 · 969160
- Henry's Law Constant
- 8.2 · 8.2×100 mol/(m3Pa) at 25℃, Modarresi et al. (2007)
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- InChI
- 1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2
- InChIKey
- RQFUZUMFPRMVDX-UHFFFAOYSA-N
- SMILES
- OCCCBr
- NIST
- 1 · 1-Propanol, 3-bromo-(627-18-9)
- EPA
- 3 · 3-Bromo-1-propanol (627-18-9)
화학적 성질
colourless liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (78.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1-Propanol, 3-bromo-
3-Bromo-1-propanol: Does not have an individual approval but may be used under an appropriate group standard
안전 및 보호
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UA7385000
- HS 번호
- 29055910
- risk_code
- 22-41-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-39-37/39
- F 고인화성물질
- 8
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
응용 분야
용도3-Bromo-1-propanol is used in the synthesis of fluorescent halide-sensitive quinolinium dyes, chiral, quaternary prolines through cyclization of quaternary amino acids and molten salt-polymers. It is utilized for the study of micellar media and in microemulsions based on cationic or a nonionic surfactant by reacting with phenols. It acts as a grafting agent in the synthesis of recyclable reagents and an intermediate in the synthesis of organic molecules.
일반 설명Clear colorless liquid.
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